N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide

C7H14N6O2S — CID 15131166

IUPACN-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
SMILESNc1nc(NS(=O)(=O)N2CCCCC2)n[nH]1
InChIInChI=1S/C7H14N6O2S/c8-6-9-7(11-10-6)12-16(14,15)13-4-2-1-3-5-13/h1-5H2,(H4,8,9,10,11,12)
InChIKeyNGVAPGQBDKMDJF-UHFFFAOYSA-N
MW246.30 g/mol
LogP-0.47
Rot. Bonds3

About N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide

N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide (PubChem CID 15131166) has the molecular formula C7H14N6O2S and a molecular weight of 246.30 g/mol. Its IUPAC name is N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
PubChem CID15131166
Molecular FormulaC7H14N6O2S
Molecular Weight246.30 g/mol
Exact Mass246.09
IUPAC NameN-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
SMILESNc1nc(NS(=O)(=O)N2CCCCC2)n[nH]1
InChIInChI=1S/C7H14N6O2S/c8-6-9-7(11-10-6)12-16(14,15)13-4-2-1-3-5-13/h1-5H2,(H4,8,9,10,11,12)
InChIKeyNGVAPGQBDKMDJF-UHFFFAOYSA-N
XLogP-0.47
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide (CID 15131166) is N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide is Nc1nc(NS(=O)(=O)N2CCCCC2)n[nH]1.
What is the InChIKey of N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide?
The InChIKey is NGVAPGQBDKMDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O2S/c8-6-9-7(11-10-6)12-16(14,15)13-4-2-1-3-5-13/h1-5H2,(H4,8,9,10,11,12).
What are the key properties of N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide?
N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide has a molecular weight of 246.30 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 15131166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).