N-(2-sulfamoylethyl)acetamide

• ChemBase ID: 277112
• Molecular Formular: C4H10N2O3S
• Molecular Mass: 166.1988
• Monoisotopic Mass: 166.04121319
• SMILES: S(=O)(=O)(CCNC(=O)C)N
• Canonical SMILES: CC(=O)NCCS(=O)(=O)N
• InChI: InChI=1S/C4H10N2O3S/c1-4(7)6-2-3-10(5,8)9/h2-3H2,1H3,(H,6,7)(H2,5,8,9)
• InChIKey: KIIYCLNDWWQUCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-sulfamoylethyl)acetamide
• IUPAC Traditional name: N-(2-sulfamoylethyl)acetamide
• Synonyms: N-(2-sulfamoylethyl)acetamide

Database IDs

• MDL Number: MFCD12784803
• PubChem SID: 164333022
• PubChem CID: 21989478

CALCULATED PROPERTIES

• Polarizability: 14.78952 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 11.512687
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.361198
• LogD (pH = 7.4): -2.3612273
• Log P: -2.3611975
• Molar Refractivity: 35.5843 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.945

Product Information

• Purity: 95%