1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide

C10H17N3O3S — CID 64994260

IUPAC1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H17N3O3S/c1-5-9(14)7(2)12-17(15,16)10-6-13(4)8(3)11-10/h6-7,12H,5H2,1-4H3
InChIKeyQHAVCZMCZOTIBZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.37
Rot. Bonds5

About 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide

1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide (PubChem CID 64994260) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
PubChem CID64994260
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H17N3O3S/c1-5-9(14)7(2)12-17(15,16)10-6-13(4)8(3)11-10/h6-7,12H,5H2,1-4H3
InChIKeyQHAVCZMCZOTIBZ-UHFFFAOYSA-N
XLogP0.37
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 79011211
(2R)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 78984885
N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 62675545
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-(1-bromo-3-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 114294711
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167715
5-amino-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-5-oxopentanoic acid
CID 62062966
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 62061405
(2S)-2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 103862437
N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103835178

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide (CID 64994260) is 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide is CCC(=O)C(C)NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide?
The InChIKey is QHAVCZMCZOTIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-5-9(14)7(2)12-17(15,16)10-6-13(4)8(3)11-10/h6-7,12H,5H2,1-4H3.
What are the key properties of 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide?
1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(3-oxopentan-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 64994260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).