N-(2-hydroxyethyl)methanesulfonamide

• ChemBase ID: 268378
• Molecular Formular: C3H9NO3S
• Molecular Mass: 139.17346
• Monoisotopic Mass: 139.03031415
• SMILES: S(=O)(=O)(NCCO)C
• Canonical SMILES: OCCNS(=O)(=O)C
• InChI: InChI=1S/C3H9NO3S/c1-8(6,7)4-2-3-5/h4-5H,2-3H2,1H3
• InChIKey: YSKUDFBMFIEUIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11611046
• PubChem SID: 164324288
• PubChem CID: 11389425

CALCULATED PROPERTIES

• Acid pKa: 11.177864
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0016763
• LogD (pH = 7.4): -2.0017397
• Log P: -2.0016754
• Molar Refractivity: 29.2559 cm^3
• Polarizability: 12.341194 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.25

Product Information

• Purity: 95%