4,4-dimethylpiperidine-1-sulfonyl chloride

• ChemBase ID: 309343
• Molecular Formular: C7H14ClNO2S
• Molecular Mass: 211.70956
• Monoisotopic Mass: 211.04337737
• SMILES: S(=O)(=O)(N1CCC(CC1)(C)C)Cl
• Canonical SMILES: CC1(C)CCN(CC1)S(=O)(=O)Cl
• InChI: InChI=1S/C7H14ClNO2S/c1-7(2)3-5-9(6-4-7)12(8,10)11/h3-6H2,1-2H3
• InChIKey: BZBQADRBYSOTOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethylpiperidine-1-sulfonyl chloride
• IUPAC Traditional name: 4,4-dimethylpiperidine-1-sulfonyl chloride
• Synonyms: 4,4-dimethyl-1-piperidinesulfonyl chloride

Database IDs

• MDL Number: MFCD17253007

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2337528
• LogD (pH = 7.4): 1.2337528
• Log P: 1.2337528
• Molar Refractivity: 49.837 cm^3
• Polarizability: 20.18417 Å^3
• Polar Surface Area: 37.38 Å^2