4-(propane-1-sulfonyl)piperidine

• ChemBase ID: 236862
• Molecular Formular: C8H17NO2S
• Molecular Mass: 191.29108
• Monoisotopic Mass: 191.09799979
• SMILES: S(=O)(=O)(C1CCNCC1)CCC
• Canonical SMILES: CCCS(=O)(=O)C1CCNCC1
• InChI: InChI=1S/C8H17NO2S/c1-2-7-12(10,11)8-3-5-9-6-4-8/h8-9H,2-7H2,1H3
• InChIKey: DKTSBKXVRSABTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propane-1-sulfonyl)piperidine
• IUPAC Traditional name: 4-(propane-1-sulfonyl)piperidine
• Synonyms: 4-(propane-1-sulfonyl)piperidine

Database IDs

• MDL Number: MFCD16249876
• PubChem SID: 164292772
• PubChem CID: 54059246

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4093797
• LogD (pH = 7.4): -2.029795
• Log P: -0.32131556
• Molar Refractivity: 49.713 cm^3
• Polarizability: 20.447124 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.828

Product Information

• Purity: 95%