4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine

C16H22N4O2S — CID 91905018

IUPAC4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H22N4O2S/c1-3-16-18-17-12-20(16)14-8-10-19(11-9-14)23(21,22)15-7-5-4-6-13(15)2/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeySHPYQOLLXADOKK-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.17
Rot. Bonds4

About 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine

4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine (PubChem CID 91905018) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine
PubChem CID91905018
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H22N4O2S/c1-3-16-18-17-12-20(16)14-8-10-19(11-9-14)23(21,22)15-7-5-4-6-13(15)2/h4-7,12,14H,3,8-11H2,1-2H3
InChIKeySHPYQOLLXADOKK-UHFFFAOYSA-N
XLogP2.17
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine (CID 91905018) is 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine is CCc1nncn1C1CCN(S(=O)(=O)c2ccccc2C)CC1.
What is the InChIKey of 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine?
The InChIKey is SHPYQOLLXADOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-16-18-17-12-20(16)14-8-10-19(11-9-14)23(21,22)15-7-5-4-6-13(15)2/h4-7,12,14H,3,8-11H2,1-2H3.
What are the key properties of 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine?
4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine has a molecular weight of 334.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-triazol-4-yl)-1-(2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 91905018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).