N-Acetylcysteine amide

C₅H₁₀N₂O₂SCAS 38520-57-9162.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀N₂O₂S
Molar mass: 162.21 g/mol
Exact mass: 162.0463 Da
Melting point: 147–149 °C
logP: 0.80Crippen estimate
Polar surface area: 76.7 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

38520-57-9

SMILES

CC(O)=N[C@@H](CS)C(=N)O

InChIKey

UJCHIZDEQZMODR-BYPYZUCNSA-N

InChI

InChI=1S/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Propanamide, 2-(acetylamino)-3-mercapto-, (2R)-
Propanamide, 2-(acetylamino)-3-mercapto-, (R)-
(2R)-2-(Acetylamino)-3-mercaptopropanamide
N-Acetyl-L-cysteinamide
(2R)-2-Acetamido-3-sulfanylpropanamide
(R)-2-Acetamido-3-mercaptopropanamide

Work with N-Acetylcysteine amide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Acetyl-L-cysteine616-91-159 % similar (2S)-2-(Acetylamino)propanamide15962-47-752 % similar N-Acetyl-L-tyrosinamide1948-71-651 % similar N-Acetyl-L-tryptophanamide2382-79-844 % similar N2-Acetyl-D-asparagine26117-27-143 % similar N-Acetylasparagine4033-40-343 % similar N-Acetyl-L-leucine1188-21-241 % similar Acetylleucine99-15-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methomyl16752-77-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook