ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate

C6H9N3O4S — CID 58344441

IUPACethyl 2-sulfamoyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(S(N)(=O)=O)[nH]1
InChIInChI=1S/C6H9N3O4S/c1-2-13-5(10)4-3-8-6(9-4)14(7,11)12/h3H,2H2,1H3,(H,8,9)(H2,7,11,12)
InChIKeyGBYVZGSYSSUMRN-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.77
Rot. Bonds3

About ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate

ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate (PubChem CID 58344441) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-sulfamoyl-1H-imidazole-5-carboxylate
PubChem CID58344441
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Nameethyl 2-sulfamoyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(S(N)(=O)=O)[nH]1
InChIInChI=1S/C6H9N3O4S/c1-2-13-5(10)4-3-8-6(9-4)14(7,11)12/h3H,2H2,1H3,(H,8,9)(H2,7,11,12)
InChIKeyGBYVZGSYSSUMRN-UHFFFAOYSA-N
XLogP-0.77
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-propyl-1H-imidazole-5-carboxylate
CID 10607505
ethyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 142922721
ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate
CID 126508949
ethoxycarbonyloxymethyl 2-methyl-1H-imidazole-5-carboxylate
CID 140986340
ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 156748397
[(E)-1,3-dichloro-3-(5-ethoxycarbonyl-1H-imidazol-2-yl)prop-2-enylidene]azanium
CID 164979348
ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate
CID 18354850
ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 123135469
ethyl 2-(4-bromo-2-fluorophenyl)-1H-imidazole-5-carboxylate
CID 85472879
ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
ethyl 2-methyl-1H-imidazole-5-carboxylate;ethyl 2-methyl-1-propan-2-ylimidazole-4-carboxylate
CID 161241264
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate (CID 58344441) is ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate is CCOC(=O)c1cnc(S(N)(=O)=O)[nH]1.
What is the InChIKey of ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate?
The InChIKey is GBYVZGSYSSUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S/c1-2-13-5(10)4-3-8-6(9-4)14(7,11)12/h3H,2H2,1H3,(H,8,9)(H2,7,11,12).
What are the key properties of ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate?
ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate has a molecular weight of 219.22 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 58344441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).