N-methylethane-1-sulfonamide

• ChemBase ID: 265334
• Molecular Formular: C3H9NO2S
• Molecular Mass: 123.17406
• Monoisotopic Mass: 123.03539953
• SMILES: S(=O)(=O)(NC)CC
• Canonical SMILES: CCS(=O)(=O)NC
• InChI: InChI=1S/C3H9NO2S/c1-3-7(5,6)4-2/h4H,3H2,1-2H3
• InChIKey: QSPPRYLTQFCUCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylethane-1-sulfonamide
• IUPAC Traditional name: N-methylethanesulfonamide
• Synonyms: N-methylethane-1-sulfonamide

Database IDs

• MDL Number: MFCD06042345
• PubChem SID: 164321244
• PubChem CID: 11105495

CALCULATED PROPERTIES

• Acid pKa: 12.853885
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8025763
• LogD (pH = 7.4): -0.8025776
• Log P: -0.8025763
• Molar Refractivity: 27.836 cm^3
• Polarizability: 11.6424 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.339

Product Information

• Purity: 95%