4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid

C12H21N3O4S — CID 65284923

IUPAC4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid
SMILESCc1ncc(S(=O)(=O)NCCC(C)(C)CCC(=O)O)[nH]1
InChIInChI=1S/C12H21N3O4S/c1-9-13-8-10(15-9)20(18,19)14-7-6-12(2,3)5-4-11(16)17/h8,14H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyRHDXMXUKLHHQPQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.28
Rot. Bonds8

About 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid

4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid (PubChem CID 65284923) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid
PubChem CID65284923
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid
SMILESCc1ncc(S(=O)(=O)NCCC(C)(C)CCC(=O)O)[nH]1
InChIInChI=1S/C12H21N3O4S/c1-9-13-8-10(15-9)20(18,19)14-7-6-12(2,3)5-4-11(16)17/h8,14H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyRHDXMXUKLHHQPQ-UHFFFAOYSA-N
XLogP1.28
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113349674
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
CID 65284771
6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid
CID 65285413
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
CID 115897668
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide
CID 77036688
4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid
CID 65285268
6-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4,4-dimethylhexanoic acid
CID 79997899
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid (CID 65284923) is 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid is Cc1ncc(S(=O)(=O)NCCC(C)(C)CCC(=O)O)[nH]1.
What is the InChIKey of 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid?
The InChIKey is RHDXMXUKLHHQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9-13-8-10(15-9)20(18,19)14-7-6-12(2,3)5-4-11(16)17/h8,14H,4-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid?
4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid has a molecular weight of 303.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 65284923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).