1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid

C7H11N5O5S — CID 66288282

IUPAC1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid
SMILESNS(=O)(=O)CCNC(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C7H11N5O5S/c8-18(16,17)2-1-9-6(13)4-12-3-5(7(14)15)10-11-12/h3H,1-2,4H2,(H,9,13)(H,14,15)(H2,8,16,17)
InChIKeyOFMPTJWCSUQOFJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP-2.62
Rot. Bonds6

About 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid

1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid (PubChem CID 66288282) has the molecular formula C7H11N5O5S and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid
PubChem CID66288282
Molecular FormulaC7H11N5O5S
Molecular Weight277.26 g/mol
Exact Mass277.05
IUPAC Name1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid
SMILESNS(=O)(=O)CCNC(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C7H11N5O5S/c8-18(16,17)2-1-9-6(13)4-12-3-5(7(14)15)10-11-12/h3H,1-2,4H2,(H,9,13)(H,14,15)(H2,8,16,17)
InChIKeyOFMPTJWCSUQOFJ-UHFFFAOYSA-N
XLogP-2.62
TPSA157.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-2.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 106041563
1-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]triazole-4-carboxylic acid
CID 66290153
1-[2-oxo-2-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 66291007
1-[2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288710
1-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289559
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
1-[2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288508
2-pyrazol-1-yl-N-(2-sulfamoylethyl)acetamide
CID 61066533
1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289546
1-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288901
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]triazole-4-carboxylic acid
CID 79357071

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid (CID 66288282) is 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid is NS(=O)(=O)CCNC(=O)Cn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid?
The InChIKey is OFMPTJWCSUQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O5S/c8-18(16,17)2-1-9-6(13)4-12-3-5(7(14)15)10-11-12/h3H,1-2,4H2,(H,9,13)(H,14,15)(H2,8,16,17).
What are the key properties of 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid?
1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid has a molecular weight of 277.26 g/mol, XLogP of -2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66288282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).