3-methylpiperidine-1-sulfonyl chloride

C6H12ClNO2S — CID 16769272

IUPAC3-methylpiperidine-1-sulfonyl chloride
SMILESCC1CCCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H12ClNO2S/c1-6-3-2-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3
InChIKeyIJDFNZUQWMCFEU-UHFFFAOYSA-N
MW197.69 g/mol
LogP1.20
Rot. Bonds1

About 3-methylpiperidine-1-sulfonyl chloride

3-methylpiperidine-1-sulfonyl chloride (PubChem CID 16769272) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 3-methylpiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methylpiperidine-1-sulfonyl chloride
PubChem CID16769272
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name3-methylpiperidine-1-sulfonyl chloride
SMILESCC1CCCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H12ClNO2S/c1-6-3-2-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3
InChIKeyIJDFNZUQWMCFEU-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidine-1-sulfonyl chloride?
The IUPAC name of 3-methylpiperidine-1-sulfonyl chloride (CID 16769272) is 3-methylpiperidine-1-sulfonyl chloride.
What is the SMILES notation for 3-methylpiperidine-1-sulfonyl chloride?
The canonical SMILES for 3-methylpiperidine-1-sulfonyl chloride is CC1CCCN(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-methylpiperidine-1-sulfonyl chloride?
The InChIKey is IJDFNZUQWMCFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-6-3-2-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3.
What are the key properties of 3-methylpiperidine-1-sulfonyl chloride?
3-methylpiperidine-1-sulfonyl chloride has a molecular weight of 197.69 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-1-sulfonyl chloride is sourced from PubChem (CID 16769272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).