1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide

C11H21N3O3S — CID 103931311

IUPAC1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C11H21N3O3S/c1-6-14-7-9(12-8-14)18(16,17)13-10(2,3)11(4,5)15/h7-8,13,15H,6H2,1-5H3
InChIKeyKLISPLCIWUVSFI-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.73
Rot. Bonds5

About 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide

1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide (PubChem CID 103931311) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide
PubChem CID103931311
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C11H21N3O3S/c1-6-14-7-9(12-8-14)18(16,17)13-10(2,3)11(4,5)15/h7-8,13,15H,6H2,1-5H3
InChIKeyKLISPLCIWUVSFI-UHFFFAOYSA-N
XLogP0.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide (CID 103931311) is 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NC(C)(C)C(C)(C)O)c1.
What is the InChIKey of 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide?
The InChIKey is KLISPLCIWUVSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-6-14-7-9(12-8-14)18(16,17)13-10(2,3)11(4,5)15/h7-8,13,15H,6H2,1-5H3.
What are the key properties of 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide?
1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 103931311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).