N-(prop-2-en-1-yl)methanesulfonamide

• ChemBase ID: 246552
• Molecular Formular: C4H9NO2S
• Molecular Mass: 135.18476
• Monoisotopic Mass: 135.03539953
• SMILES: S(=O)(=O)(NCC=C)C
• Canonical SMILES: C=CCNS(=O)(=O)C
• InChI: InChI=1S/C4H9NO2S/c1-3-4-5-8(2,6)7/h3,5H,1,4H2,2H3
• InChIKey: TYVZEADQWCCODY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)methanesulfonamide
• IUPAC Traditional name: N-(prop-2-en-1-yl)methanesulfonamide
• Synonyms: N-(prop-2-en-1-yl)methanesulfonamide

Database IDs

• MDL Number: MFCD00465166
• PubChem SID: 164302462
• PubChem CID: 4675024

CALCULATED PROPERTIES

• Acid pKa: 12.56577
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.58032364
• LogD (pH = 7.4): -0.58032626
• Log P: -0.58032364
• Molar Refractivity: 32.1263 cm^3
• Polarizability: 13.213227 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.094

Product Information

• Purity: 95%