4-(ethanesulfonyl)piperidine

• ChemBase ID: 236859
• Molecular Formular: C7H15NO2S
• Molecular Mass: 177.2645
• Monoisotopic Mass: 177.08234973
• SMILES: S(=O)(=O)(C1CCNCC1)CC
• Canonical SMILES: CCS(=O)(=O)C1CCNCC1
• InChI: InChI=1S/C7H15NO2S/c1-2-11(9,10)7-3-5-8-6-4-7/h7-8H,2-6H2,1H3
• InChIKey: JMYXSHLCNUBQQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethanesulfonyl)piperidine
• IUPAC Traditional name: 4-(ethanesulfonyl)piperidine
• Synonyms: 4-(ethanesulfonyl)piperidine

Database IDs

• MDL Number: MFCD11848093
• PubChem SID: 164292769
• PubChem CID: 53404297

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.931902
• LogD (pH = 7.4): -2.5523174
• Log P: -0.8438379
• Molar Refractivity: 45.189 cm^3
• Polarizability: 18.61201 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.357

Product Information

• Purity: 95%