2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine

C19H24N2O2S — CID 23820089

IUPAC2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine
SMILESO=S(=O)(CCc1ccccn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O2S/c22-24(23,15-11-19-8-4-5-12-20-19)21-13-9-18(10-14-21)16-17-6-2-1-3-7-17/h1-8,12,18H,9-11,13-16H2
InChIKeyHGOPTAREQNZSSC-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.91
Rot. Bonds6

About 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine

2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine (PubChem CID 23820089) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine.

Molecular Properties

Compound Name2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine
PubChem CID23820089
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine
SMILESO=S(=O)(CCc1ccccn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O2S/c22-24(23,15-11-19-8-4-5-12-20-19)21-13-9-18(10-14-21)16-17-6-2-1-3-7-17/h1-8,12,18H,9-11,13-16H2
InChIKeyHGOPTAREQNZSSC-UHFFFAOYSA-N
XLogP2.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine?
The IUPAC name of 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine (CID 23820089) is 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine.
What is the SMILES notation for 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine?
The canonical SMILES for 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine is O=S(=O)(CCc1ccccn1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine?
The InChIKey is HGOPTAREQNZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-24(23,15-11-19-8-4-5-12-20-19)21-13-9-18(10-14-21)16-17-6-2-1-3-7-17/h1-8,12,18H,9-11,13-16H2.
What are the key properties of 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine?
2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine has a molecular weight of 344.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylpiperidin-1-yl)sulfonylethyl]pyridine is sourced from PubChem (CID 23820089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).