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

C19H24N2O3S — CID 91229627

IUPAC2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine
SMILESCCc1ncccc1N1CCC(S(=O)(=O)c2ccccc2OC)CC1
InChIInChI=1S/C19H24N2O3S/c1-3-16-17(7-6-12-20-16)21-13-10-15(11-14-21)25(22,23)19-9-5-4-8-18(19)24-2/h4-9,12,15H,3,10-11,13-14H2,1-2H3
InChIKeyRYSSLCIVNWQLHM-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.10
Rot. Bonds5

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

2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine (PubChem CID 91229627) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine
PubChem CID91229627
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine
SMILESCCc1ncccc1N1CCC(S(=O)(=O)c2ccccc2OC)CC1
InChIInChI=1S/C19H24N2O3S/c1-3-16-17(7-6-12-20-16)21-13-10-15(11-14-21)25(22,23)19-9-5-4-8-18(19)24-2/h4-9,12,15H,3,10-11,13-14H2,1-2H3
InChIKeyRYSSLCIVNWQLHM-UHFFFAOYSA-N
XLogP3.10
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine?
The IUPAC name of 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine (CID 91229627) is 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine.
What is the SMILES notation for 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine?
The canonical SMILES for 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine is CCc1ncccc1N1CCC(S(=O)(=O)c2ccccc2OC)CC1.
What is the InChIKey of 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine?
The InChIKey is RYSSLCIVNWQLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-16-17(7-6-12-20-16)21-13-10-15(11-14-21)25(22,23)19-9-5-4-8-18(19)24-2/h4-9,12,15H,3,10-11,13-14H2,1-2H3.
What are the key properties of 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine?
2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine has a molecular weight of 360.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine is sourced from PubChem (CID 91229627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).