4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine

C18H22N2O3S — CID 99844527

IUPAC4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C18H22N2O3S/c1-14-3-4-17(23-2)18(13-14)24(21,22)20-11-7-16(8-12-20)15-5-9-19-10-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3
InChIKeyYQWYIELBEYLZPL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.97
Rot. Bonds4

About 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine

4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine (PubChem CID 99844527) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
PubChem CID99844527
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C18H22N2O3S/c1-14-3-4-17(23-2)18(13-14)24(21,22)20-11-7-16(8-12-20)15-5-9-19-10-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3
InChIKeyYQWYIELBEYLZPL-UHFFFAOYSA-N
XLogP2.97
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
CID 155801200
1-(2-methoxy-5-methylphenyl)sulfonyl-5-methyl-1,4-diazepane
CID 82252101
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2-methoxy-5-methylphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703855
4-cyclopentyl-5-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121117404
5-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 46096596
(3S,4R)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135093155
3-bromo-2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129417204
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine?
The IUPAC name of 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine (CID 99844527) is 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine is COc1ccc(C)cc1S(=O)(=O)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine?
The InChIKey is YQWYIELBEYLZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-3-4-17(23-2)18(13-14)24(21,22)20-11-7-16(8-12-20)15-5-9-19-10-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3.
What are the key properties of 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine?
4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine has a molecular weight of 346.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine is sourced from PubChem (CID 99844527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).