N-[(hydrazinecarbonyl)methyl]-N-methylmethanesulfonamide

• ChemBase ID: 309027
• Molecular Formular: C4H11N3O3S
• Molecular Mass: 181.21344
• Monoisotopic Mass: 181.05211223
• SMILES: S(=O)(=O)(N(CC(=O)NN)C)C
• Canonical SMILES: NNC(=O)CN(S(=O)(=O)C)C
• InChI: InChI=1S/C4H11N3O3S/c1-7(11(2,9)10)3-4(8)6-5/h3,5H2,1-2H3,(H,6,8)
• InChIKey: URDYGSGSUZGQOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(hydrazinecarbonyl)methyl]-N-methylmethanesulfonamide
• IUPAC Traditional name: N-[(hydrazinecarbonyl)methyl]-N-methylmethanesulfonamide
• Synonyms: N-(2-hydrazino-2-oxoethyl)-N-methylmethanesulfonamide

Database IDs

• CAS Number: 1119445-29-2
• MDL Number: MFCD12827522

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7142777
• LogD (pH = 7.4): -2.713356
• Log P: -2.7133324
• Molar Refractivity: 40.2512 cm^3
• Polarizability: 16.222992 Å^3
• Polar Surface Area: 92.5 Å^2