2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine

C15H22N6O2S — CID 91913573

IUPAC2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2c2nc(C3CC3)n[nH]2)cn1
InChIInChI=1S/C15H22N6O2S/c1-2-20-10-12(9-16-20)24(22,23)21-8-4-3-5-13(21)15-17-14(18-19-15)11-6-7-11/h9-11,13H,2-8H2,1H3,(H,17,18,19)
InChIKeyCXVSYLSTWJXMJA-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.81
Rot. Bonds5

About 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine

2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 91913573) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID91913573
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2c2nc(C3CC3)n[nH]2)cn1
InChIInChI=1S/C15H22N6O2S/c1-2-20-10-12(9-16-20)24(22,23)21-8-4-3-5-13(21)15-17-14(18-19-15)11-6-7-11/h9-11,13H,2-8H2,1H3,(H,17,18,19)
InChIKeyCXVSYLSTWJXMJA-UHFFFAOYSA-N
XLogP1.81
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (CID 91913573) is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is CCn1cc(S(=O)(=O)N2CCCCC2c2nc(C3CC3)n[nH]2)cn1.
What is the InChIKey of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is CXVSYLSTWJXMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-2-20-10-12(9-16-20)24(22,23)21-8-4-3-5-13(21)15-17-14(18-19-15)11-6-7-11/h9-11,13H,2-8H2,1H3,(H,17,18,19).
What are the key properties of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 350.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 91913573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).