Acesulfame potassium

CAS 55589-62-3  ·  C₄H₄KNO₄S  ·  MW 201.24 g/mol

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3D model Acesulfame Potassium, CAS 55589-62-3, molecular formula C₄H₄KNO₄S, molar mass 201.24 g/mol
About Acesulfame potassium

Acesulfame potassium is a chemical compound registered under number CAS 55589-62-3, with the molecular formula C₄H₄KNO₄S, and a molar mass of 201.24 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is potassium 6-methyl-2,2-dioxo-1-oxa-2lambda6-thia-3-azanidacyclohex-5-en-4-one. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 69.8 Ų, 0 donors and 5 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC₄H₄KNO₄S
Molar mass201.24 g/mol
IUPACpotassium 6-methyl-2,2-dioxo-1-oxa-2lambda6-thia-3-azanidacyclohex-5-en-4-one
SMILESCC1=CC(=O)[N-]S(=O)(=O)O1.[K+]
InChIKeyWBZFUFAFFUEMEI-UHFFFAOYSA-M
logP (XLogP3)—
PSA69.8 Ų
HBD / HBA0 / 5
PubChem CIDCID 11074431 ↗
Scientific literature

Related literature

20 articles · 11 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 20)

2014: number of articles 120142015: number of articles 22016: number of articles 12017: number of articles 22018: number of articles 22019: number of articles 12020: number of articles 120202021: number of articles 12022: number of articles 12023: number of articles 32024: number of articles 12025: number of articles 32026: number of articles 12026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Acesulfame potassium · 55589-62-3 · Acesulfame K · Potassium acesulfame · Otizon · Potassium acesulfamate · Acesulfame potassium salt · Sunett d · Acesulfam-K · INS-950 · E 950 · INS NO.950 · DTXCID9010606 · Hoe 095 · E-950
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/11074431
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
acesulfame potassium (CAS 55589-62-3), C₄H₄KNO₄S - 3D ball-and-stick molecular model, engraved element symbols (C H K N O S), MolGod STL previewDownload image

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acesulfame potassium (CAS 55589-62-3), C₄H₄KNO₄S - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
acesulfame potassium · 55589-62-3
InChIKey
WBZFUFAFFUEMEI-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — acesulfame potassium (CAS 55589-62-3)
License & provenance record
acesulfame potassium (CAS 55589-62-3) →
MolGod molecule record
acesulfame potassium →
Source data
PubChem CID 11074431 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
b7ae1f1fe8526a71330f52d9feca200d6c058c794f10d18ae14ec995319d6673
MD5 (STL)
9bcfb975b11355132b8c0317f2b5dde3
Model identifier
MG-STL-55589-62-3
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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