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

C8H15N5O3S — CID 83095398

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C8H15N5O3S/c1-16-8-9-7(10-11-8)12-17(14,15)13-5-3-2-4-6-13/h2-6H2,1H3,(H2,9,10,11,12)
InChIKeyUMFXVVKGTWHGRY-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.04
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide (PubChem CID 83095398) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
PubChem CID83095398
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C8H15N5O3S/c1-16-8-9-7(10-11-8)12-17(14,15)13-5-3-2-4-6-13/h2-6H2,1H3,(H2,9,10,11,12)
InChIKeyUMFXVVKGTWHGRY-UHFFFAOYSA-N
XLogP-0.04
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide 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-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide (CID 83095398) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide is COc1n[nH]c(NS(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide?
The InChIKey is UMFXVVKGTWHGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-16-8-9-7(10-11-8)12-17(14,15)13-5-3-2-4-6-13/h2-6H2,1H3,(H2,9,10,11,12).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide has a molecular weight of 261.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 83095398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).