2-methylpiperidine-1-sulfonyl chloride

• ChemBase ID: 255284
• Molecular Formular: C6H12ClNO2S
• Molecular Mass: 197.68298
• Monoisotopic Mass: 197.02772731
• SMILES: S(=O)(=O)(N1C(C)CCCC1)Cl
• Canonical SMILES: CC1CCCCN1S(=O)(=O)Cl
• InChI: InChI=1S/C6H12ClNO2S/c1-6-4-2-3-5-8(6)11(7,9)10/h6H,2-5H2,1H3
• InChIKey: YWRRIROUSRSMDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpiperidine-1-sulfonyl chloride
• IUPAC Traditional name: 2-methylpiperidine-1-sulfonyl chloride
• Synonyms: 2-methylpiperidine-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD08443258
• PubChem SID: 164311194
• PubChem CID: 16770000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0632616
• LogD (pH = 7.4): 1.0632616
• Log P: 1.0632616
• Molar Refractivity: 45.2321 cm^3
• Polarizability: 18.364172 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.479

Product Information

• Purity: 95%