N-Acetyl-L-Cysteine

Name: N-Acetyl-L-Cysteine (CAS 616-91-1) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-02T14:53:43Z
Duration: 3 s
Channel: MolGod Scientific
Description: N-Acetyl-L-Cysteine (CAS 616-91-1) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 616-91-1 · C₅H₉NO₃S · MW 163.20 g/mol

Full record: N-Acetyl-L-Cysteine — Safety Data Sheet →

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

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ENGRAVEDNORMAL

N-Acetyl-L-Cysteine, C5H9NO3S, CAS 616-91-1 - 3D molecular model — © MolGod.org — All rights reserved · image rights

N-Acetyl-L-Cysteine (CAS 616-91-1), C5H9NO3S - 3D ball-and-stick molecular model, engraved element symbols (C H N O S), MolGod STL preview

MG_897-684-221-48 · engraved · 328,188 △ · 16 MB · SHA-256 369ff8305801473a

Download 3D model: N-Acetyl-L-Cysteine, C₅H₉NO₃S, CAS 616-91-1 · ENGRAVED (C, H, N, O, S) · 16 MB

N-Acetyl-L-Cysteine (CAS 616-91-1), C5H9NO3S - 3D ball-and-stick molecular model, MolGod STL preview

MG_897-684-221-48 · normal · 8,000 △ · 391 KB · SHA-256 25f6d8222bfd9a8e

Download 3D model: N-Acetyl-L-Cysteine, C₅H₉NO₃S, CAS 616-91-1 · NORMAL · 391 KB

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About N-Acetyl-L-Cysteine

N-Acetyl-L-Cysteine is a chemical compound registered under number CAS 616-91-1, with the molecular formula C₅H₉NO₃S, and a molar mass of 163.20 g/mol.

The molecule contains 19 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is (2R)-2-acetamido-3-sulfanylpropanoic acid. 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, the partition coefficient logP = 0.4 (positive value, a lipophilic compound), polar surface area PSA = 67.4 Å², 3 donors and 4 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₅H₉NO₃S
Molar mass	163.20 g/mol
IUPAC	(2R)-2-acetamido-3-sulfanylpropanoic acid
SMILES	`CC(=O)N[C@@H](CS)C(=O)O`
InChIKey	`PWKSKIMOESPYIA-BYPYZUCNSA-N`
logP (XLogP3)	0.4
PSA	67.4 Å²
HBD / HBA	3 / 4
PubChem CID	CID 12035 ↗

GHS safety

Signal word: Warning

GHS07

H319 — Causes serious eye irritation

Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

🔓

N-acetyl-l-cysteine ethyl ester (NACET) induces the transcription factor NRF2 and prevents retinal aging and diabetic retinopathy.

Realini G, Amato R, Rasa M et al. (2025) · Redox biology

Open AccessDOI ↗PubMed ↗PDF ↗

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

Synonyms

N-Acetyl-L-cysteine · acetylcysteine · 616-91-1 · N-Acetylcysteine · mercapturic acid · Acetadote · L-Acetylcysteine · Fluimucetin · Respaire · N-Acetyl cysteine · Acetilcisteina · Brunac · Acetylcysteinum · Syntemucol · Tixair

Data sources

📊 PubChem CID 12035 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

N-Acetyl-L-valine CAS 96-81-1 · C7H13NO3 Similar structure · Tanimoto 0.43 N-acetyl-D-penicillamine CAS 15537-71-0 · C7H13NO3S Similar structure · Tanimoto 0.43 Methyl Isobutyl Ketone CAS 108-10-1 · C6H12O Shared hazard H319 Acetic Acid CAS 64-19-7 · C2H4O2 Similar structure · Tanimoto 0.27 3-Mercaptopropionic Acid CAS 107-96-0 · C3H6O2S Similar structure · Tanimoto 0.26

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: N-Acetyl-L-Cysteine · 616-91-1
InChIKey: PWKSKIMOESPYIA-BYPYZUCNSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — N-Acetyl-L-Cysteine (CAS 616-91-1)
License & provenance record: N-Acetyl-L-Cysteine (CAS 616-91-1) →
MolGod molecule record: N-Acetyl-L-Cysteine →
Source data: PubChem CID 12035 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 25f6d8222bfd9a8e92ac0d1a0a844a2174f24453d3f3bdfc741b488561651351
MD5 (STL): 5ac73601338f6dde83596c39a4312c16
MolGod Identification Number: MG_897-684-221-48
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

📄 Download 3D model: N-Acetyl-L-Cysteine, C₅H₉NO₃S, CAS 616-91-1 · NORMAL · 391 KB 📄 Download 3D model: N-Acetyl-L-Cysteine, C₅H₉NO₃S, CAS 616-91-1 · ENGRAVED (C, H, N, O, S) · 16 MB

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