2-propan-2-yl-1-propylimidazole-4-sulfonamide

C9H17N3O2S — CID 81340774

IUPAC2-propan-2-yl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C9H17N3O2S/c1-4-5-12-6-8(15(10,13)14)11-9(12)7(2)3/h6-7H,4-5H2,1-3H3,(H2,10,13,14)
InChIKeyUYLMLMGFOJVYTN-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.06
Rot. Bonds4

About 2-propan-2-yl-1-propylimidazole-4-sulfonamide

2-propan-2-yl-1-propylimidazole-4-sulfonamide (PubChem CID 81340774) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-propan-2-yl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-propan-2-yl-1-propylimidazole-4-sulfonamide
PubChem CID81340774
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-propan-2-yl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(N)(=O)=O)nc1C(C)C
InChIInChI=1S/C9H17N3O2S/c1-4-5-12-6-8(15(10,13)14)11-9(12)7(2)3/h6-7H,4-5H2,1-3H3,(H2,10,13,14)
InChIKeyUYLMLMGFOJVYTN-UHFFFAOYSA-N
XLogP1.06
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-1-propylimidazole-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

1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1,2-Dimethylimidazole-4-sulfonyl chloride
CID 2736256
1,2-dimethyl-1H-imidazole-5-sulfonyl chloride
CID 2736258
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-1H-imidazole-5-sulfonamide
CID 18971486
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
1-methyl-2-(propan-2-yl)-1H-imidazole-5-sulfonyl chloride
CID 129980896
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
2-(1-Methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
CID 97472658
1-ethyl-2-methyl-1H-imidazole-5-sulfonyl chloride
CID 50987958
1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride
CID 54595262

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-propan-2-yl-1-propylimidazole-4-sulfonamide (CID 81340774) is 2-propan-2-yl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-propan-2-yl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-propan-2-yl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(N)(=O)=O)nc1C(C)C.
What is the InChIKey of 2-propan-2-yl-1-propylimidazole-4-sulfonamide?
The InChIKey is UYLMLMGFOJVYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-5-12-6-8(15(10,13)14)11-9(12)7(2)3/h6-7H,4-5H2,1-3H3,(H2,10,13,14).
What are the key properties of 2-propan-2-yl-1-propylimidazole-4-sulfonamide?
2-propan-2-yl-1-propylimidazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 81340774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).