[(2-hydroxyethyl)(methyl)sulfamoyl]dimethylamine

• ChemBase ID: 272346
• Molecular Formular: C5H14N2O3S
• Molecular Mass: 182.24126
• Monoisotopic Mass: 182.07251332
• SMILES: S(=O)(=O)(N(CCO)C)N(C)C
• Canonical SMILES: OCCN(S(=O)(=O)N(C)C)C
• InChI: InChI=1S/C5H14N2O3S/c1-6(2)11(9,10)7(3)4-5-8/h8H,4-5H2,1-3H3
• InChIKey: FCWZLDAWGPBDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-hydroxyethyl)(methyl)sulfamoyl]dimethylamine
• IUPAC Traditional name: [(2-hydroxyethyl)(methyl)sulfamoyl]dimethylamine
• Synonyms: [(2-hydroxyethyl)(methyl)sulfamoyl]dimethylamine

Database IDs

• MDL Number: MFCD11934966
• PubChem SID: 164328256
• PubChem CID: 39237483

CALCULATED PROPERTIES

• Acid pKa: 15.541238
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.786703
• LogD (pH = 7.4): -1.7867017
• Log P: -1.7867017
• Molar Refractivity: 42.7207 cm^3
• Polarizability: 17.494457 Å^3
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.885

Product Information

• Purity: 95%