2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine

C19H24N2O3S — CID 166308467

IUPAC2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine
SMILESCOc1ccccc1C1CCC(C)CN1S(=O)(=O)Cc1ccccn1
InChIInChI=1S/C19H24N2O3S/c1-15-10-11-18(17-8-3-4-9-19(17)24-2)21(13-15)25(22,23)14-16-7-5-6-12-20-16/h3-9,12,15,18H,10-11,13-14H2,1-2H3
InChIKeyWIXYQQGAUFAKTC-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.39
Rot. Bonds5

About 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine

2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine (PubChem CID 166308467) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine
PubChem CID166308467
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine
SMILESCOc1ccccc1C1CCC(C)CN1S(=O)(=O)Cc1ccccn1
InChIInChI=1S/C19H24N2O3S/c1-15-10-11-18(17-8-3-4-9-19(17)24-2)21(13-15)25(22,23)14-16-7-5-6-12-20-16/h3-9,12,15,18H,10-11,13-14H2,1-2H3
InChIKeyWIXYQQGAUFAKTC-UHFFFAOYSA-N
XLogP3.39
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 129487234
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124977259
1-[2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110098246
2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92612141
1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one
CID 75259178
3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 71639477
4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
CID 110293209
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
1-(pyridin-2-ylmethylsulfonyl)piperidin-3-amine
CID 71644242
3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine
CID 166308747
4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrazole
CID 92628820

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine?
The IUPAC name of 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine (CID 166308467) is 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine is COc1ccccc1C1CCC(C)CN1S(=O)(=O)Cc1ccccn1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine?
The InChIKey is WIXYQQGAUFAKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-10-11-18(17-8-3-4-9-19(17)24-2)21(13-15)25(22,23)14-16-7-5-6-12-20-16/h3-9,12,15,18H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine?
2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine has a molecular weight of 360.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine is sourced from PubChem (CID 166308467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).