N-(2-hydroxyethyl)-N-methylmethanesulfonamide

• ChemBase ID: 279520
• Molecular Formular: C4H11NO3S
• Molecular Mass: 153.20004
• Monoisotopic Mass: 153.04596422
• SMILES: S(=O)(=O)(N(CCO)C)C
• Canonical SMILES: OCCN(S(=O)(=O)C)C
• InChI: InChI=1S/C4H11NO3S/c1-5(3-4-6)9(2,7)8/h6H,3-4H2,1-2H3
• InChIKey: PEGFJIKCJWKGHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11934382
• PubChem SID: 164335430
• PubChem CID: 14868621

CALCULATED PROPERTIES

• Acid pKa: 15.543644
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7779994
• LogD (pH = 7.4): -1.7779994
• Log P: -1.7779994
• Molar Refractivity: 34.1526 cm^3
• Polarizability: 14.150684 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.864

Product Information

• Purity: 95%