N-(3-sulfamoylpropyl)acetamide

• ChemBase ID: 277571
• Molecular Formular: C5H12N2O3S
• Molecular Mass: 180.22538
• Monoisotopic Mass: 180.05686325
• SMILES: S(=O)(=O)(N)CCCNC(=O)C
• Canonical SMILES: CC(=O)NCCCS(=O)(=O)N
• InChI: InChI=1S/C5H12N2O3S/c1-5(8)7-3-2-4-11(6,9)10/h2-4H2,1H3,(H,7,8)(H2,6,9,10)
• InChIKey: RUEWBKNYCFWUTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-sulfamoylpropyl)acetamide
• IUPAC Traditional name: N-(3-sulfamoylpropyl)acetamide
• Synonyms: N-(3-sulfamoylpropyl)acetamide

Database IDs

• MDL Number: MFCD12794775
• PubChem SID: 164333481
• PubChem CID: 20459379

CALCULATED PROPERTIES

• Acid pKa: 11.642784
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3012383
• LogD (pH = 7.4): -2.3012598
• Log P: -2.3012378
• Molar Refractivity: 40.4497 cm^3
• Polarizability: 16.600067 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.721

Product Information

• Purity: 95%