2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine

C18H22N2O2S — CID 58210632

IUPAC2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-6-8-16(9-7-14)17-4-3-5-18(19-17)23(21,22)20-12-10-15(2)11-13-20/h3-9,15H,10-13H2,1-2H3
InChIKeyPAMYMTGRANUGRI-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.48
Rot. Bonds3

About 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine

2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine (PubChem CID 58210632) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
PubChem CID58210632
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-6-8-16(9-7-14)17-4-3-5-18(19-17)23(21,22)20-12-10-15(2)11-13-20/h3-9,15H,10-13H2,1-2H3
InChIKeyPAMYMTGRANUGRI-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine (CID 58210632) is 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine is Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is PAMYMTGRANUGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-6-8-16(9-7-14)17-4-3-5-18(19-17)23(21,22)20-12-10-15(2)11-13-20/h3-9,15H,10-13H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 330.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 58210632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).