4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide

C11H17N3O3S — CID 59900697

IUPAC4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C2=CCC(O)CC2)c1
InChIInChI=1S/C11H17N3O3S/c1-13(2)18(16,17)14-7-11(12-8-14)9-3-5-10(15)6-4-9/h3,7-8,10,15H,4-6H2,1-2H3
InChIKeyDENFRALHNCNIHU-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.47
Rot. Bonds3

About 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide

4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 59900697) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide
PubChem CID59900697
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(C2=CCC(O)CC2)c1
InChIInChI=1S/C11H17N3O3S/c1-13(2)18(16,17)14-7-11(12-8-14)9-3-5-10(15)6-4-9/h3,7-8,10,15H,4-6H2,1-2H3
InChIKeyDENFRALHNCNIHU-UHFFFAOYSA-N
XLogP0.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-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 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide (CID 59900697) is 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(C2=CCC(O)CC2)c1.
What is the InChIKey of 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is DENFRALHNCNIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13(2)18(16,17)14-7-11(12-8-14)9-3-5-10(15)6-4-9/h3,7-8,10,15H,4-6H2,1-2H3.
What are the key properties of 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide?
4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxycyclohexen-1-yl)-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 59900697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).