3-(methoxymethyl)piperidine-1-sulfonyl chloride

• ChemBase ID: 309326
• Molecular Formular: C7H14ClNO3S
• Molecular Mass: 227.70896
• Monoisotopic Mass: 227.03829199
• SMILES: S(=O)(=O)(N1CC(COC)CCC1)Cl
• Canonical SMILES: COCC1CCCN(C1)S(=O)(=O)Cl
• InChI: InChI=1S/C7H14ClNO3S/c1-12-6-7-3-2-4-9(5-7)13(8,10)11/h7H,2-6H2,1H3
• InChIKey: LTPIHPPQDGDSLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)piperidine-1-sulfonyl chloride
• IUPAC Traditional name: 3-(methoxymethyl)piperidine-1-sulfonyl chloride
• Synonyms: 3-(methoxymethyl)-1-piperidinesulfonyl chloride

Database IDs

• CAS Number: 1243250-22-7
• MDL Number: MFCD17078869

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.25966406
• LogD (pH = 7.4): 0.25966406
• Log P: 0.25966406
• Molar Refractivity: 51.866 cm^3
• Polarizability: 20.938513 Å^3
• Polar Surface Area: 46.61 Å^2