4-methoxypiperidine-1-sulfonyl chloride

• ChemBase ID: 309370
• Molecular Formular: C6H12ClNO3S
• Molecular Mass: 213.68238
• Monoisotopic Mass: 213.02264193
• SMILES: S(=O)(=O)(N1CCC(CC1)OC)Cl
• Canonical SMILES: COC1CCN(CC1)S(=O)(=O)Cl
• InChI: InChI=1S/C6H12ClNO3S/c1-11-6-2-4-8(5-3-6)12(7,9)10/h6H,2-5H2,1H3
• InChIKey: QQHWNEIDFLVBBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypiperidine-1-sulfonyl chloride
• IUPAC Traditional name: 4-methoxypiperidine-1-sulfonyl chloride
• Synonyms: 4-methoxy-1-piperidinesulfonyl chloride

Database IDs

• CAS Number: 355849-73-9
• MDL Number: MFCD12167171

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.24249344
• LogD (pH = 7.4): -0.24249344
• Log P: -0.24249344
• Molar Refractivity: 47.1468 cm^3
• Polarizability: 19.125256 Å^3
• Polar Surface Area: 46.61 Å^2