N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide

C12H21N3O3S — CID 109379489

IUPACN-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C12H21N3O3S/c1-9(2)15-7-12(13-8-15)19(17,18)14-10-3-5-11(16)6-4-10/h7-11,14,16H,3-6H2,1-2H3
InChIKeyYOEUKDJXYYPPPK-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.05
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide

N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 109379489) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID109379489
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC NameN-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C12H21N3O3S/c1-9(2)15-7-12(13-8-15)19(17,18)14-10-3-5-11(16)6-4-10/h7-11,14,16H,3-6H2,1-2H3
InChIKeyYOEUKDJXYYPPPK-UHFFFAOYSA-N
XLogP1.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxycyclohexyl)-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-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide (CID 109379489) is N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is YOEUKDJXYYPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9(2)15-7-12(13-8-15)19(17,18)14-10-3-5-11(16)6-4-10/h7-11,14,16H,3-6H2,1-2H3.
What are the key properties of N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 109379489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).