2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine

C15H20N4O2S — CID 87052239

IUPAC2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCCC1c1nncn1Cc1ccccc1
InChIInChI=1S/C15H20N4O2S/c1-22(20,21)19-10-6-5-9-14(19)15-17-16-12-18(15)11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3
InChIKeyOCBKXBARBWFDBV-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine

2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine (PubChem CID 87052239) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine
PubChem CID87052239
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCCC1c1nncn1Cc1ccccc1
InChIInChI=1S/C15H20N4O2S/c1-22(20,21)19-10-6-5-9-14(19)15-17-16-12-18(15)11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3
InChIKeyOCBKXBARBWFDBV-UHFFFAOYSA-N
XLogP1.81
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine?
The IUPAC name of 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine (CID 87052239) is 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCCC1c1nncn1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine?
The InChIKey is OCBKXBARBWFDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-22(20,21)19-10-6-5-9-14(19)15-17-16-12-18(15)11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3.
What are the key properties of 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine?
2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine has a molecular weight of 320.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 87052239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).