N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide

C11H21N5O2S — CID 47213754

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCCC1)c1nncn1C
InChIInChI=1S/C11H21N5O2S/c1-10(11-13-12-9-15(11)2)14-19(17,18)16-7-5-3-4-6-8-16/h9-10,14H,3-8H2,1-2H3
InChIKeyFVARIYZMIYBJFO-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.59
Rot. Bonds4

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide (PubChem CID 47213754) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide
PubChem CID47213754
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCCC1)c1nncn1C
InChIInChI=1S/C11H21N5O2S/c1-10(11-13-12-9-15(11)2)14-19(17,18)16-7-5-3-4-6-8-16/h9-10,14H,3-8H2,1-2H3
InChIKeyFVARIYZMIYBJFO-UHFFFAOYSA-N
XLogP0.59
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-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-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide (CID 47213754) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide is CC(NS(=O)(=O)N1CCCCCC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide?
The InChIKey is FVARIYZMIYBJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-10(11-13-12-9-15(11)2)14-19(17,18)16-7-5-3-4-6-8-16/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane-1-sulfonamide is sourced from PubChem (CID 47213754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).