N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide

C13H23N3O3S — CID 109379589

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC(O)C2CCCC2)c1
InChIInChI=1S/C13H23N3O3S/c1-10(2)16-8-13(14-9-16)20(18,19)15-7-12(17)11-5-3-4-6-11/h8-12,15,17H,3-7H2,1-2H3
InChIKeyMGOVNHJVGVXENM-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.29
Rot. Bonds6

About N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide

N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 109379589) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID109379589
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC(O)C2CCCC2)c1
InChIInChI=1S/C13H23N3O3S/c1-10(2)16-8-13(14-9-16)20(18,19)15-7-12(17)11-5-3-4-6-11/h8-12,15,17H,3-7H2,1-2H3
InChIKeyMGOVNHJVGVXENM-UHFFFAOYSA-N
XLogP1.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-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-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide (CID 109379589) is N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NCC(O)C2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is MGOVNHJVGVXENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10(2)16-8-13(14-9-16)20(18,19)15-7-12(17)11-5-3-4-6-11/h8-12,15,17H,3-7H2,1-2H3.
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 109379589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).