1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine

C13H18ClNO2S — CID 3102904

IUPAC1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5H2,1-2H3
InChIKeyHIWROFGCKQGFKO-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.29
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine

1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine (PubChem CID 3102904) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine
PubChem CID3102904
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5H2,1-2H3
InChIKeyHIWROFGCKQGFKO-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine (CID 3102904) is 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine is CC1CCCC(C)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine?
The InChIKey is HIWROFGCKQGFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine?
1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine has a molecular weight of 287.81 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2,6-dimethylpiperidine is sourced from PubChem (CID 3102904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).