N-ethylmethanesulfonamide

• ChemBase ID: 282738
• Molecular Formular: C3H9NO2S
• Molecular Mass: 123.17406
• Monoisotopic Mass: 123.03539953
• SMILES: S(=O)(=O)(NCC)C
• Canonical SMILES: CCNS(=O)(=O)C
• InChI: InChI=1S/C3H9NO2S/c1-3-4-7(2,5)6/h4H,3H2,1-2H3
• InChIKey: PZVFQOBASICMME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylmethanesulfonamide
• IUPAC Traditional name: N-ethylmethanesulfonamide
• Synonyms: N-ethylmethanesulfonamide

Database IDs

• MDL Number: MFCD01212000
• PubChem SID: 180668269
• PubChem CID: 5136276

CALCULATED PROPERTIES

• Acid pKa: 13.031067
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9547655
• LogD (pH = 7.4): -0.9547664
• Log P: -0.9547655
• Molar Refractivity: 27.7122 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%