2-amino-N,N-dimethylethane-1-sulfonamide

• ChemBase ID: 307916
• Molecular Formular: C4H12N2O2S
• Molecular Mass: 152.21528
• Monoisotopic Mass: 152.06194863
• SMILES: S(=O)(=O)(N(C)C)CCN
• Canonical SMILES: NCCS(=O)(=O)N(C)C
• InChI: InChI=1S/C4H12N2O2S/c1-6(2)9(7,8)4-3-5/h3-5H2,1-2H3
• InChIKey: RTVWJWNJHGNHTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethylethane-1-sulfonamide
• IUPAC Traditional name: 2-amino-N,N-dimethylethanesulfonamide
• Synonyms: 2-amino-N,N-dimethylethanesulfonamide

Database IDs

• CAS Number: 91893-70-8
• MDL Number: MFCD09041898

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4215717
• LogD (pH = 7.4): -2.8150282
• Log P: -1.732692
• Molar Refractivity: 35.9339 cm^3
• Polarizability: 14.991998 Å^3
• Polar Surface Area: 63.4 Å^2