N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide

C10H19N3O3S — CID 64557790

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H19N3O3S/c1-5-10(3,7-14)12-17(15,16)9-6-13(4)8(2)11-9/h6,12,14H,5,7H2,1-4H3
InChIKeyKUZVCSDEVFFBAW-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.17
Rot. Bonds5

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

N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 64557790) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID64557790
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H19N3O3S/c1-5-10(3,7-14)12-17(15,16)9-6-13(4)8(2)11-9/h6,12,14H,5,7H2,1-4H3
InChIKeyKUZVCSDEVFFBAW-UHFFFAOYSA-N
XLogP0.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-hydroxy-2-methylbutan-2-yl)-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

Related Compounds

2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 55030383
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylimidazole-4-sulfonamide
CID 106169930
4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 55030430
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 113283535
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
CID 64994260
N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 64557626
N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide
CID 130410993
N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103835178

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide (CID 64557790) is N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide is CCC(C)(CO)NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is KUZVCSDEVFFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-5-10(3,7-14)12-17(15,16)9-6-13(4)8(2)11-9/h6,12,14H,5,7H2,1-4H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 64557790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).