N-(piperidin-4-yl)thiophene-2-sulfonamide

• ChemBase ID: 252526
• Molecular Formular: C9H14N2O2S2
• Molecular Mass: 246.34966
• Monoisotopic Mass: 246.0496697
• SMILES: S(=O)(=O)(c1sccc1)NC1CCNCC1
• Canonical SMILES: O=S(=O)(c1cccs1)NC1CCNCC1
• InChI: InChI=1S/C9H14N2O2S2/c12-15(13,9-2-1-7-14-9)11-8-3-5-10-6-4-8/h1-2,7-8,10-11H,3-6H2
• InChIKey: CPFRSJRBWYRHNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)thiophene-2-sulfonamide
• IUPAC Traditional name: N-(piperidin-4-yl)thiophene-2-sulfonamide
• Synonyms: N-piperidin-4-ylthiophene-2-sulfonamide

Database IDs

• MDL Number: MFCD08444376
• PubChem SID: 164308436
• PubChem CID: 16227267

CALCULATED PROPERTIES

• Acid pKa: 8.806408
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8004453
• LogD (pH = 7.4): -1.8472174
• Log P: -0.6738328
• Molar Refractivity: 59.5347 cm^3
• Polarizability: 24.345339 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.447

Product Information

• Purity: 95%