N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide

C14H27N3O3S — CID 130410993

IUPACN-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCCC(C)(C)CC(O)CNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C14H27N3O3S/c1-6-7-14(3,4)8-12(18)9-15-21(19,20)13-10-17(5)11(2)16-13/h10,12,15,18H,6-9H2,1-5H3
InChIKeyKOKDBGBYSUTSBK-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.58
Rot. Bonds8

About N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide

N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 130410993) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID130410993
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCCC(C)(C)CC(O)CNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C14H27N3O3S/c1-6-7-14(3,4)8-12(18)9-15-21(19,20)13-10-17(5)11(2)16-13/h10,12,15,18H,6-9H2,1-5H3
InChIKeyKOKDBGBYSUTSBK-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-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-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide (CID 130410993) is N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide is CCCC(C)(C)CC(O)CNS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is KOKDBGBYSUTSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-6-7-14(3,4)8-12(18)9-15-21(19,20)13-10-17(5)11(2)16-13/h10,12,15,18H,6-9H2,1-5H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 130410993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).