N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide

C11H21N3O3S — CID 71806371

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCC(O)C(C)(C)C)c1
InChIInChI=1S/C11H21N3O3S/c1-11(2,3)9(15)5-6-13-18(16,17)10-7-14(4)8-12-10/h7-9,13,15H,5-6H2,1-4H3
InChIKeyMLYMAJBRPPBFBQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.50
Rot. Bonds5

About N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide

N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide (PubChem CID 71806371) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide
PubChem CID71806371
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCC(O)C(C)(C)C)c1
InChIInChI=1S/C11H21N3O3S/c1-11(2,3)9(15)5-6-13-18(16,17)10-7-14(4)8-12-10/h7-9,13,15H,5-6H2,1-4H3
InChIKeyMLYMAJBRPPBFBQ-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-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

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide (CID 71806371) is N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCC(O)C(C)(C)C)c1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is MLYMAJBRPPBFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-11(2,3)9(15)5-6-13-18(16,17)10-7-14(4)8-12-10/h7-9,13,15H,5-6H2,1-4H3.
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide?
N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71806371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).