1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C16H28N4O2S — CID 84599406

IUPAC1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCN(S(=O)(=O)CC2CCCC2)C1
InChIInChI=1S/C16H28N4O2S/c1-13(2)20-12-17-18-16(20)15-8-5-9-19(10-15)23(21,22)11-14-6-3-4-7-14/h12-15H,3-11H2,1-2H3
InChIKeyLGLLTXXDXFIUKN-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.56
Rot. Bonds5

About 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 84599406) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID84599406
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCN(S(=O)(=O)CC2CCCC2)C1
InChIInChI=1S/C16H28N4O2S/c1-13(2)20-12-17-18-16(20)15-8-5-9-19(10-15)23(21,22)11-14-6-3-4-7-14/h12-15H,3-11H2,1-2H3
InChIKeyLGLLTXXDXFIUKN-UHFFFAOYSA-N
XLogP2.56
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine 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 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 84599406) is 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCCN(S(=O)(=O)CC2CCCC2)C1.
What is the InChIKey of 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is LGLLTXXDXFIUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-13(2)20-12-17-18-16(20)15-8-5-9-19(10-15)23(21,22)11-14-6-3-4-7-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 340.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 84599406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).