4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine

C19H24N2O2S — CID 1488729

IUPAC4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)nc2N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14-7-9-17(10-8-14)24(22,23)18-15(2)13-16(3)20-19(18)21-11-5-4-6-12-21/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeySGNGAAAZVBXVGM-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.83
Rot. Bonds3

About 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine

4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine (PubChem CID 1488729) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine
PubChem CID1488729
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)nc2N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14-7-9-17(10-8-14)24(22,23)18-15(2)13-16(3)20-19(18)21-11-5-4-6-12-21/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeySGNGAAAZVBXVGM-UHFFFAOYSA-N
XLogP3.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine?
The IUPAC name of 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine (CID 1488729) is 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine.
What is the SMILES notation for 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine?
The canonical SMILES for 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine is Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2N2CCCCC2)cc1.
What is the InChIKey of 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine?
The InChIKey is SGNGAAAZVBXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-7-9-17(10-8-14)24(22,23)18-15(2)13-16(3)20-19(18)21-11-5-4-6-12-21/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine?
4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine has a molecular weight of 344.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-piperidin-1-ylpyridine is sourced from PubChem (CID 1488729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).