2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine

C18H22N2O2S — CID 102543313

IUPAC2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2ccnc(C)c2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-6-8-17(9-7-14)23(21,22)20-12-4-3-5-18(20)16-10-11-19-15(2)13-16/h6-11,13,18H,3-5,12H2,1-2H3
InChIKeyYDTKGJBJGMSBFT-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine

2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine (PubChem CID 102543313) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
PubChem CID102543313
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2ccnc(C)c2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-6-8-17(9-7-14)23(21,22)20-12-4-3-5-18(20)16-10-11-19-15(2)13-16/h6-11,13,18H,3-5,12H2,1-2H3
InChIKeyYDTKGJBJGMSBFT-UHFFFAOYSA-N
XLogP3.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500923
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102539737
2-(2,5-dimethylpyrrol-1-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102541906
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102540406
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine
CID 127246771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine?
The IUPAC name of 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine (CID 102543313) is 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine?
The canonical SMILES for 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine is Cc1ccc(S(=O)(=O)N2CCCCC2c2ccnc(C)c2)cc1.
What is the InChIKey of 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine?
The InChIKey is YDTKGJBJGMSBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-6-8-17(9-7-14)23(21,22)20-12-4-3-5-18(20)16-10-11-19-15(2)13-16/h6-11,13,18H,3-5,12H2,1-2H3.
What are the key properties of 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine?
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine has a molecular weight of 330.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine is sourced from PubChem (CID 102543313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).