Cas no 627887-46-1 (3-methylpiperidine-1-sulfonyl chloride)

3-Methylpiperidine-1-sulfonyl chloride is a versatile sulfonylation reagent widely used in organic synthesis and pharmaceutical chemistry. This compound features a reactive sulfonyl chloride group attached to the 3-methylpiperidine scaffold, enabling efficient introduction of the 3-methylpiperidine sulfonyl moiety into target molecules. Its structural characteristics make it particularly valuable for modifying amines, alcohols, and other nucleophiles to create sulfonamide or sulfonate derivatives. The 3-methyl substitution on the piperidine ring enhances steric and electronic properties, potentially improving the biological activity or pharmacokinetic profile of resulting compounds. This reagent is commonly employed in medicinal chemistry for structure-activity relationship studies and in the development of drug candidates, especially those targeting central nervous system disorders. It offers good stability under standard handling conditions while maintaining high reactivity when needed.
3-methylpiperidine-1-sulfonyl chloride structure
627887-46-1 structure
Product Name:3-methylpiperidine-1-sulfonyl chloride
CAS No:627887-46-1
MF:C6H12ClNO2S
MW:197.68297958374
MDL:MFCD08442451
CID:4078305
PubChem ID:16769272
Update Time:2025-07-02

3-methylpiperidine-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 1-Piperidinesulfonyl chloride, 3-methyl-
    • IJDFNZUQWMCFEU-UHFFFAOYSA-N
    • 3-methylpiperidine-1-sulfonyl chloride
    • AKOS016051265
    • Z241054672
    • 3-methylpiperidine-1-sulfonylchloride
    • MFCD08442451
    • DB-218162
    • AKOS000125195
    • EN300-29819
    • SCHEMBL3010358
    • 3-Methylpiperidine-1-sulfonyl chloride, AldrichCPR
    • 627887-46-1
    • 854-466-2
    • MDL: MFCD08442451
    • Inchi: 1S/C6H12ClNO2S/c1-6-3-2-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3
    • InChI Key: IJDFNZUQWMCFEU-UHFFFAOYSA-N
    • SMILES: ClS(N1CCCC(C)C1)(=O)=O

Computed Properties

  • Exact Mass: 197.0277275g/mol
  • Monoisotopic Mass: 197.0277275g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 45.8?2

3-methylpiperidine-1-sulfonyl chloride Pricemore >>

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