N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H24N6O3S2 — CID 56527498

IUPACN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H24N6O3S2/c24-15(18-16-19-17(21-20-16)22-8-2-1-3-9-22)13-6-10-23(11-7-13)28(25,26)14-5-4-12-27-14/h4-5,12-13H,1-3,6-11H2,(H2,18,19,20,21,24)
InChIKeyGYKQXJQIFIOSJR-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.90
Rot. Bonds5

About N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 56527498) has the molecular formula C17H24N6O3S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID56527498
Molecular FormulaC17H24N6O3S2
Molecular Weight424.55 g/mol
Exact Mass424.14
IUPAC NameN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H24N6O3S2/c24-15(18-16-19-17(21-20-16)22-8-2-1-3-9-22)13-6-10-23(11-7-13)28(25,26)14-5-4-12-27-14/h4-5,12-13H,1-3,6-11H2,(H2,18,19,20,21,24)
InChIKeyGYKQXJQIFIOSJR-UHFFFAOYSA-N
XLogP1.90
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide 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 N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 56527498) is N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1nc(N2CCCCC2)n[nH]1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is GYKQXJQIFIOSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S2/c24-15(18-16-19-17(21-20-16)22-8-2-1-3-9-22)13-6-10-23(11-7-13)28(25,26)14-5-4-12-27-14/h4-5,12-13H,1-3,6-11H2,(H2,18,19,20,21,24).
What are the key properties of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56527498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).