3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine

C11H20N4O2S — CID 47372138

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C11H20N4O2S/c1-9(2)18(16,17)15-6-4-5-10(7-15)11-13-12-8-14(11)3/h8-10H,4-7H2,1-3H3
InChIKeyFJCWOYGEESPZCB-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.73
Rot. Bonds3

About 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine

3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine (PubChem CID 47372138) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine
PubChem CID47372138
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C11H20N4O2S/c1-9(2)18(16,17)15-6-4-5-10(7-15)11-13-12-8-14(11)3/h8-10H,4-7H2,1-3H3
InChIKeyFJCWOYGEESPZCB-UHFFFAOYSA-N
XLogP0.73
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine 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 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine (CID 47372138) is 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine is CC(C)S(=O)(=O)N1CCCC(c2nncn2C)C1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine?
The InChIKey is FJCWOYGEESPZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(2)18(16,17)15-6-4-5-10(7-15)11-13-12-8-14(11)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine?
3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine has a molecular weight of 272.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 47372138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).