2-methylpiperidine-1-sulfonyl chloride

C6H12ClNO2S — CID 16770000

IUPAC2-methylpiperidine-1-sulfonyl chloride
SMILESCC1CCCCN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO2S/c1-6-4-2-3-5-8(6)11(7,9)10/h6H,2-5H2,1H3
InChIKeyYWRRIROUSRSMDL-UHFFFAOYSA-N
MW197.69 g/mol
LogP1.34
Rot. Bonds1

About 2-methylpiperidine-1-sulfonyl chloride

2-methylpiperidine-1-sulfonyl chloride (PubChem CID 16770000) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 2-methylpiperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methylpiperidine-1-sulfonyl chloride
PubChem CID16770000
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name2-methylpiperidine-1-sulfonyl chloride
SMILESCC1CCCCN1S(=O)(=O)Cl
InChIInChI=1S/C6H12ClNO2S/c1-6-4-2-3-5-8(6)11(7,9)10/h6H,2-5H2,1H3
InChIKeyYWRRIROUSRSMDL-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine-1-sulfonyl chloride
CID 11298344
N-cyclohexyl-N-methylsulfamoyl chloride
CID 12798263
2-Methylpiperidine-1-sulfonamide
CID 43210840
[(2-Ethylpiperidyl)sulfonyl]dimethylamine
CID 4465411
2-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 66570557
n,n,2-Trimethylpiperidine-1-sulfonamide
CID 223612
2-Methyl-1-methylsulfonylpiperidine
CID 4180119
(S)-2-Trifluoromethylpiperidinesulfonyl chloride
CID 66570555
(R)-2-Trifluoromethylpiperidinesulfonyl chloride
CID 66570556
4,4-Difluoro-2-methylpiperidine-1-sulfonyl chloride
CID 165496266
2-Methyl-1-sulfanylpiperidine
CID 12471767
Chloro piperidine-1-sulfonate
CID 13902136

Frequently Asked Questions

What is the IUPAC name of 2-methylpiperidine-1-sulfonyl chloride?
The IUPAC name of 2-methylpiperidine-1-sulfonyl chloride (CID 16770000) is 2-methylpiperidine-1-sulfonyl chloride.
What is the SMILES notation for 2-methylpiperidine-1-sulfonyl chloride?
The canonical SMILES for 2-methylpiperidine-1-sulfonyl chloride is CC1CCCCN1S(=O)(=O)Cl.
What is the InChIKey of 2-methylpiperidine-1-sulfonyl chloride?
The InChIKey is YWRRIROUSRSMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-6-4-2-3-5-8(6)11(7,9)10/h6H,2-5H2,1H3.
What are the key properties of 2-methylpiperidine-1-sulfonyl chloride?
2-methylpiperidine-1-sulfonyl chloride has a molecular weight of 197.69 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperidine-1-sulfonyl chloride is sourced from PubChem (CID 16770000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).