4-(propane-2-sulfonyl)piperidine

• ChemBase ID: 236860
• Molecular Formular: C8H17NO2S
• Molecular Mass: 191.29108
• Monoisotopic Mass: 191.09799979
• SMILES: S(=O)(=O)(C1CCNCC1)C(C)C
• Canonical SMILES: CC(S(=O)(=O)C1CCNCC1)C
• InChI: InChI=1S/C8H17NO2S/c1-7(2)12(10,11)8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
• InChIKey: DLDLIKJDRQJBEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propane-2-sulfonyl)piperidine
• IUPAC Traditional name: 4-(propane-2-sulfonyl)piperidine
• Synonyms: 4-(propane-2-sulfonyl)piperidine

Database IDs

• MDL Number: MFCD19260064
• PubChem SID: 164292770
• PubChem CID: 57231271

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.363133
• LogD (pH = 7.4): -1.9835379
• Log P: -0.2750737
• Molar Refractivity: 49.5248 cm^3
• Polarizability: 20.447124 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.048

Product Information

• Purity: 95%