2-propan-2-yl-1H-imidazole-5-sulfonic acid

C6H10N2O3S — CID 19864190

IUPAC2-propan-2-yl-1H-imidazole-5-sulfonic acid
SMILESCC(C)c1ncc(S(=O)(=O)O)[nH]1
InChIInChI=1S/C6H10N2O3S/c1-4(2)6-7-3-5(8-6)12(9,10)11/h3-4H,1-2H3,(H,7,8)(H,9,10,11)
InChIKeyGABJCJCWWJFHLG-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.78
Rot. Bonds2

About 2-propan-2-yl-1H-imidazole-5-sulfonic acid

2-propan-2-yl-1H-imidazole-5-sulfonic acid (PubChem CID 19864190) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole-5-sulfonic acid.

Molecular Properties

Compound Name2-propan-2-yl-1H-imidazole-5-sulfonic acid
PubChem CID19864190
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name2-propan-2-yl-1H-imidazole-5-sulfonic acid
SMILESCC(C)c1ncc(S(=O)(=O)O)[nH]1
InChIInChI=1S/C6H10N2O3S/c1-4(2)6-7-3-5(8-6)12(9,10)11/h3-4H,1-2H3,(H,7,8)(H,9,10,11)
InChIKeyGABJCJCWWJFHLG-UHFFFAOYSA-N
XLogP0.78
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-propan-2-yl-1H-imidazole-5-sulfonic acid 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 2-propan-2-yl-1H-imidazole-5-sulfonic acid?
The IUPAC name of 2-propan-2-yl-1H-imidazole-5-sulfonic acid (CID 19864190) is 2-propan-2-yl-1H-imidazole-5-sulfonic acid.
What is the SMILES notation for 2-propan-2-yl-1H-imidazole-5-sulfonic acid?
The canonical SMILES for 2-propan-2-yl-1H-imidazole-5-sulfonic acid is CC(C)c1ncc(S(=O)(=O)O)[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-imidazole-5-sulfonic acid?
The InChIKey is GABJCJCWWJFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-4(2)6-7-3-5(8-6)12(9,10)11/h3-4H,1-2H3,(H,7,8)(H,9,10,11).
What are the key properties of 2-propan-2-yl-1H-imidazole-5-sulfonic acid?
2-propan-2-yl-1H-imidazole-5-sulfonic acid has a molecular weight of 190.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-imidazole-5-sulfonic acid is sourced from PubChem (CID 19864190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).