3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine

C17H20N2O3S — CID 906684

IUPAC3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-22-15-7-9-16(10-8-15)23(20,21)19-12-3-2-6-17(19)14-5-4-11-18-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3/t17-/m0/s1
InChIKeyMGYOYKLFKUOBCL-KRWDZBQOSA-N
MW332.43 g/mol
LogP3.01
Rot. Bonds4

About 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine

3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine (PubChem CID 906684) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
PubChem CID906684
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-22-15-7-9-16(10-8-15)23(20,21)19-12-3-2-6-17(19)14-5-4-11-18-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3/t17-/m0/s1
InChIKeyMGYOYKLFKUOBCL-KRWDZBQOSA-N
XLogP3.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
3-methoxy-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 3622156
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
3-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525744
2-methoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40607024
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130
(2S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 95078943
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843
(E)-N-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 98142076

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine (CID 906684) is 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine is COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1.
What is the InChIKey of 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine?
The InChIKey is MGYOYKLFKUOBCL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-22-15-7-9-16(10-8-15)23(20,21)19-12-3-2-6-17(19)14-5-4-11-18-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3/t17-/m0/s1.
What are the key properties of 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine?
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine has a molecular weight of 332.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine is sourced from PubChem (CID 906684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).