2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid

C10H17N3O4S — CID 62818002

IUPAC2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid
SMILESCc1nc(S(=O)(=O)N(C)C(C)(C)C(=O)O)cn1C
InChIInChI=1S/C10H17N3O4S/c1-7-11-8(6-12(7)4)18(16,17)13(5)10(2,3)9(14)15/h6H,1-5H3,(H,14,15)
InChIKeyWJDJFFLJGFEPEZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.21
Rot. Bonds4

About 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid

2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid (PubChem CID 62818002) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid
PubChem CID62818002
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid
SMILESCc1nc(S(=O)(=O)N(C)C(C)(C)C(=O)O)cn1C
InChIInChI=1S/C10H17N3O4S/c1-7-11-8(6-12(7)4)18(16,17)13(5)10(2,3)9(14)15/h6H,1-5H3,(H,14,15)
InChIKeyWJDJFFLJGFEPEZ-UHFFFAOYSA-N
XLogP0.21
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[carboxymethyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 63646589
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 79387609
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 55030383
N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62061893
methyl 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]acetate
CID 55030482
5-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397916
2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
CID 55123980
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]propanoate
CID 62062662
2-[cyclopentyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 62061909
4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 55030430
N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 63397074
2-[benzenesulfonyl(methyl)amino]-2-methylpropanoic acid
CID 62818706

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid (CID 62818002) is 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid is Cc1nc(S(=O)(=O)N(C)C(C)(C)C(=O)O)cn1C.
What is the InChIKey of 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid?
The InChIKey is WJDJFFLJGFEPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7-11-8(6-12(7)4)18(16,17)13(5)10(2,3)9(14)15/h6H,1-5H3,(H,14,15).
What are the key properties of 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid?
2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).