3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine

C17H20N2O2S — CID 175864648

IUPAC3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cccnc3)CC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-14-4-6-17(7-5-14)22(20,21)19-11-8-15(9-12-19)16-3-2-10-18-13-16/h2-7,10,13,15H,8-9,11-12H2,1H3
InChIKeyIKOVQFDWSONEJL-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.96
Rot. Bonds3

About 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine

3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine (PubChem CID 175864648) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
PubChem CID175864648
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cccnc3)CC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-14-4-6-17(7-5-14)22(20,21)19-11-8-15(9-12-19)16-3-2-10-18-13-16/h2-7,10,13,15H,8-9,11-12H2,1H3
InChIKeyIKOVQFDWSONEJL-UHFFFAOYSA-N
XLogP2.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
3-[1-(4-ethenylphenyl)sulfonylpyrrolidin-3-yl]pyridine
CID 166380312
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50767959
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(pyridin-3-ylmethylamino)ethanone
CID 43816887
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine?
The IUPAC name of 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine (CID 175864648) is 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine.
What is the SMILES notation for 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine?
The canonical SMILES for 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine is Cc1ccc(S(=O)(=O)N2CCC(c3cccnc3)CC2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine?
The InChIKey is IKOVQFDWSONEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-14-4-6-17(7-5-14)22(20,21)19-11-8-15(9-12-19)16-3-2-10-18-13-16/h2-7,10,13,15H,8-9,11-12H2,1H3.
What are the key properties of 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine?
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine has a molecular weight of 316.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine is sourced from PubChem (CID 175864648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).