2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine

C19H24N2O3S — CID 102539403

IUPAC2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
SMILESCCOc1ncccc1C1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-24-19-17(7-6-13-20-19)18-8-4-5-14-21(18)25(22,23)16-11-9-15(2)10-12-16/h6-7,9-13,18H,3-5,8,14H2,1-2H3
InChIKeyWJOFQRCLDYBKOA-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.70
Rot. Bonds5

About 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine

2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine (PubChem CID 102539403) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
PubChem CID102539403
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
SMILESCCOc1ncccc1C1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-24-19-17(7-6-13-20-19)18-8-4-5-14-21(18)25(22,23)16-11-9-15(2)10-12-16/h6-7,9-13,18H,3-5,8,14H2,1-2H3
InChIKeyWJOFQRCLDYBKOA-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102542110
tert-butyl N-ethyl-N-[3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]carbamate
CID 102540918
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
tert-butyl N-[3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]-N-phenylcarbamate
CID 102541430
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
CID 51856005
2-ethoxy-3-(1-propylpyrrolidin-2-yl)pyridine
CID 102539384
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine?
The IUPAC name of 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine (CID 102539403) is 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine.
What is the SMILES notation for 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine?
The canonical SMILES for 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine is CCOc1ncccc1C1CCCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine?
The InChIKey is WJOFQRCLDYBKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-24-19-17(7-6-13-20-19)18-8-4-5-14-21(18)25(22,23)16-11-9-15(2)10-12-16/h6-7,9-13,18H,3-5,8,14H2,1-2H3.
What are the key properties of 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine?
2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine has a molecular weight of 360.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine is sourced from PubChem (CID 102539403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).