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

C11H21N3O3S — CID 58201813

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(O)CC(C)(C)C)[nH]1
InChIInChI=1S/C11H21N3O3S/c1-8-12-7-10(14-8)18(16,17)13-6-9(15)5-11(2,3)4/h7,9,13,15H,5-6H2,1-4H3,(H,12,14)
InChIKeyJNZDLGMSEVVRRT-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.79
Rot. Bonds5

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

N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 58201813) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID58201813
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(O)CC(C)(C)C)[nH]1
InChIInChI=1S/C11H21N3O3S/c1-8-12-7-10(14-8)18(16,17)13-6-9(15)5-11(2,3)4/h7,9,13,15H,5-6H2,1-4H3,(H,12,14)
InChIKeyJNZDLGMSEVVRRT-UHFFFAOYSA-N
XLogP0.79
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 58201813) is N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(O)CC(C)(C)C)[nH]1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is JNZDLGMSEVVRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-8-12-7-10(14-8)18(16,17)13-6-9(15)5-11(2,3)4/h7,9,13,15H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 58201813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).