2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid

C8H13N3O4S — CID 81340289

IUPAC2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CC(=O)O
InChIInChI=1S/C8H13N3O4S/c1-5(2)8-10-6(16(9,14)15)3-11(8)4-7(12)13/h3,5H,4H2,1-2H3,(H,12,13)(H2,9,14,15)
InChIKeyUDWKXEDXZVATIJ-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.26
Rot. Bonds4

About 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid

2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid (PubChem CID 81340289) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid
PubChem CID81340289
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CC(=O)O
InChIInChI=1S/C8H13N3O4S/c1-5(2)8-10-6(16(9,14)15)3-11(8)4-7(12)13/h3,5H,4H2,1-2H3,(H,12,13)(H2,9,14,15)
InChIKeyUDWKXEDXZVATIJ-UHFFFAOYSA-N
XLogP-0.26
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2-dimethyl-1H-imidazole-4-sulfonamido)propanoic acid
CID 47002352
2-[(1,2-Dimethylimidazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258063
2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258731
2-[(1-Methylimidazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258900
2-[(1-Ethyl-2-methylimidazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265466
2-[(1-Ethylimidazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79372934
2-[(1-Ethyl-2-methylimidazol-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790269
3,3,3-Trifluoro-2-methyl-2-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79792171
2-[(1-Ethylimidazol-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792384
2-[(1,2-Dimethylimidazol-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793617
1-(2-Fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81340197
Methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate
CID 20969620

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid (CID 81340289) is 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid is CC(C)c1nc(S(N)(=O)=O)cn1CC(=O)O.
What is the InChIKey of 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid?
The InChIKey is UDWKXEDXZVATIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-5(2)8-10-6(16(9,14)15)3-11(8)4-7(12)13/h3,5H,4H2,1-2H3,(H,12,13)(H2,9,14,15).
What are the key properties of 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid?
2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid has a molecular weight of 247.28 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid is sourced from PubChem (CID 81340289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).