1-methylsulfonylpiperidine-3-sulfonyl chloride

C6H12ClNO4S2 — CID 131109268

IUPAC1-methylsulfonylpiperidine-3-sulfonyl chloride
SMILESCS(=O)(=O)N1CCCC(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H12ClNO4S2/c1-13(9,10)8-4-2-3-6(5-8)14(7,11)12/h6H,2-5H2,1H3
InChIKeyGHLDMYUQRGKUDG-UHFFFAOYSA-N
MW261.75 g/mol
LogP-0.02
Rot. Bonds2

About 1-methylsulfonylpiperidine-3-sulfonyl chloride

1-methylsulfonylpiperidine-3-sulfonyl chloride (PubChem CID 131109268) has the molecular formula C6H12ClNO4S2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-methylsulfonylpiperidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-methylsulfonylpiperidine-3-sulfonyl chloride
PubChem CID131109268
Molecular FormulaC6H12ClNO4S2
Molecular Weight261.75 g/mol
Exact Mass260.99
IUPAC Name1-methylsulfonylpiperidine-3-sulfonyl chloride
SMILESCS(=O)(=O)N1CCCC(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H12ClNO4S2/c1-13(9,10)8-4-2-3-6(5-8)14(7,11)12/h6H,2-5H2,1H3
InChIKeyGHLDMYUQRGKUDG-UHFFFAOYSA-N
XLogP-0.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
N-methyltetrahydro-1,2-thiazine S,S-dioxide
CID 12211945
1-Methanesulfonylpiperidine
CID 273952
1-Pentylsulfonylpiperidine
CID 303124
(1-Methanesulfonylpiperidin-4-yl)methanesulfonyl chloride
CID 75481394
2-(Piperidin-1-yl)ethane-1-sulfonyl chloride hydrochloride
CID 165947110
1-(1-Fluoroethylsulfonyl)piperidine
CID 89229763
N-(Ethylsulfinyl)piperidine
CID 6422832
2-(Piperidin-1-YL)ethane-1-sulfonyl chloride
CID 14106997
4-(Methylsulfonyl)piperidine-1-sulfonyl fluoride
CID 135564435
1-(Ethanesulfonyl)-4-fluoropiperidine
CID 153946499

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpiperidine-3-sulfonyl chloride?
The IUPAC name of 1-methylsulfonylpiperidine-3-sulfonyl chloride (CID 131109268) is 1-methylsulfonylpiperidine-3-sulfonyl chloride.
What is the SMILES notation for 1-methylsulfonylpiperidine-3-sulfonyl chloride?
The canonical SMILES for 1-methylsulfonylpiperidine-3-sulfonyl chloride is CS(=O)(=O)N1CCCC(S(=O)(=O)Cl)C1.
What is the InChIKey of 1-methylsulfonylpiperidine-3-sulfonyl chloride?
The InChIKey is GHLDMYUQRGKUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO4S2/c1-13(9,10)8-4-2-3-6(5-8)14(7,11)12/h6H,2-5H2,1H3.
What are the key properties of 1-methylsulfonylpiperidine-3-sulfonyl chloride?
1-methylsulfonylpiperidine-3-sulfonyl chloride has a molecular weight of 261.75 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpiperidine-3-sulfonyl chloride is sourced from PubChem (CID 131109268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).