N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide

C11H21N3O3S — CID 109379590

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C11H21N3O3S/c1-8(2)14-5-11(12-7-14)18(16,17)13-10(4)9(3)6-15/h5,7-10,13,15H,6H2,1-4H3
InChIKeyPQCWBYCILIBUEN-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.76
Rot. Bonds6

About N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide

N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 109379590) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID109379590
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C11H21N3O3S/c1-8(2)14-5-11(12-7-14)18(16,17)13-10(4)9(3)6-15/h5,7-10,13,15H,6H2,1-4H3
InChIKeyPQCWBYCILIBUEN-UHFFFAOYSA-N
XLogP0.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide (CID 109379590) is N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide is CC(CO)C(C)NS(=O)(=O)c1cn(C(C)C)cn1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is PQCWBYCILIBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-8(2)14-5-11(12-7-14)18(16,17)13-10(4)9(3)6-15/h5,7-10,13,15H,6H2,1-4H3.
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 109379590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).