N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide

C10H19N3O3S — CID 75484621

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide
SMILESCC(O)CC(C)(C)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H19N3O3S/c1-8(14)4-10(2,3)6-13-17(15,16)9-5-11-7-12-9/h5,7-8,13-14H,4,6H2,1-3H3,(H,11,12)
InChIKeyORUIUKWFJBVGGZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.49
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide

N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide (PubChem CID 75484621) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide
PubChem CID75484621
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide
SMILESCC(O)CC(C)(C)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H19N3O3S/c1-8(14)4-10(2,3)6-13-17(15,16)9-5-11-7-12-9/h5,7-8,13-14H,4,6H2,1-3H3,(H,11,12)
InChIKeyORUIUKWFJBVGGZ-UHFFFAOYSA-N
XLogP0.49
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide (CID 75484621) is N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide is CC(O)CC(C)(C)CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide?
The InChIKey is ORUIUKWFJBVGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8(14)4-10(2,3)6-13-17(15,16)9-5-11-7-12-9/h5,7-8,13-14H,4,6H2,1-3H3,(H,11,12).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide?
N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 75484621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).