1-acetylpiperidine-3-sulfonamide

• ChemBase ID: 274651
• Molecular Formular: C7H14N2O3S
• Molecular Mass: 206.26266
• Monoisotopic Mass: 206.07251332
• SMILES: S(=O)(=O)(C1CN(C(=O)C)CCC1)N
• Canonical SMILES: CC(=O)N1CCCC(C1)S(=O)(=O)N
• InChI: InChI=1S/C7H14N2O3S/c1-6(10)9-4-2-3-7(5-9)13(8,11)12/h7H,2-5H2,1H3,(H2,8,11,12)
• InChIKey: QHQVFFVEDABANP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-acetylpiperidine-3-sulfonamide
• IUPAC Traditional name: 1-acetylpiperidine-3-sulfonamide
• Synonyms: 1-acetylpiperidine-3-sulfonamide

Database IDs

• MDL Number: MFCD12783896
• PubChem SID: 164330561
• PubChem CID: 54593303

CALCULATED PROPERTIES

• Acid pKa: 10.9209585
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5197698
• LogD (pH = 7.4): -1.5198836
• Log P: -1.5197676
• Molar Refractivity: 47.816 cm^3
• Polarizability: 19.53189 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.463

Product Information

• Purity: 95%