2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

C14H22N6O2S — CID 87052111

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1c1nncn1C
InChIInChI=1S/C14H22N6O2S/c1-10-13(11(2)19(4)17-10)23(21,22)20-8-6-5-7-12(20)14-16-15-9-18(14)3/h9,12H,5-8H2,1-4H3
InChIKeyGBMAHGJLBIJVPJ-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.08
Rot. Bonds3

About 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 87052111) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID87052111
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1c1nncn1C
InChIInChI=1S/C14H22N6O2S/c1-10-13(11(2)19(4)17-10)23(21,22)20-8-6-5-7-12(20)14-16-15-9-18(14)3/h9,12H,5-8H2,1-4H3
InChIKeyGBMAHGJLBIJVPJ-UHFFFAOYSA-N
XLogP1.08
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (CID 87052111) is 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1c1nncn1C.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is GBMAHGJLBIJVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-10-13(11(2)19(4)17-10)23(21,22)20-8-6-5-7-12(20)14-16-15-9-18(14)3/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 338.44 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 87052111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).