N-(2-hydroxypropyl)methanesulfonamide

• ChemBase ID: 286515
• Molecular Formular: C4H11NO3S
• Molecular Mass: 153.20004
• Monoisotopic Mass: 153.04596422
• SMILES: S(=O)(=O)(NCC(O)C)C
• Canonical SMILES: CC(CNS(=O)(=O)C)O
• InChI: InChI=1S/C4H11NO3S/c1-4(6)3-5-9(2,7)8/h4-6H,3H2,1-2H3
• InChIKey: MTVHDBKXHIMFKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxypropyl)methanesulfonamide
• IUPAC Traditional name: N-(2-hydroxypropyl)methanesulfonamide
• Synonyms: N-(2-hydroxypropyl)methanesulfonamide

Database IDs

• MDL Number: MFCD11934383
• PubChem SID: 180672046
• PubChem CID: 20769764

CALCULATED PROPERTIES

• Acid pKa: 10.702643
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5851028
• LogD (pH = 7.4): -1.5852921
• Log P: -1.5851004
• Molar Refractivity: 33.6747 cm^3
• Polarizability: 14.150684 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.941

Product Information

• Purity: 95%