N-Acetylcysteinamide
Basic information
- CAS
10061-64-0- Standard SMILES
CC(=O)N[C@H](CS)C(N)=O- InChIKey
UJCHIZDEQZMODR-SCSAIBSYSA-N- Molecular formula
- C5H10N2O2S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.04629874
Names & identifiers
- Preferred name
- N-Acetylcysteinamide
- IUPAC
- (2S)-2-acetamido-3-sulfanylpropanamide
- English name
- (+)-2-(Acetylamino)-3-mercaptopropionamide
- Molecular formula
- C5H10N2O2S
- Molecular weight
- 162.21
Names & synonyms
10061-64-0N-Acetylcysteinamide2-acetamido-3-mercapto-L-propionamideRefChem:927029(2S)-2-acetamido-3-sulfanylpropanamide(+)-2-(Acetylamino)-3-mercaptopropionamide(S)-2-Acetamido-3-mercaptopropanamideL-2-Acetamido-3-mercaptopropionamidePropionamide, 2-acetamido-3-mercapto-, L-DTXSID60905628SCHEMBL128079772-[(1-Hydroxyethylidene)amino]-3-sulfanylpropanimidic acid
Show more names
N~2~-acetyl-D-cysteinamidePropanamide, 2-(acetylamino)-3-mercapto-, (αS)-
(2S)-2-[(1-Hydroxyethylidene)amino]-3-sulfanylpropanimidic acid
Database identifiers
- CAS
10061-64-0- PubChem CID
- 82333
- DTXSID
DTXSID60905628
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
LogP-0.29
Physicochemical properties
- Boiling point
- 441 · 441.0±40.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 9.21 · 9.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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