5-oxo-1-sulfamoylpiperazine-2-carboxylic acid

C5H9N3O5S — CID 107435429

IUPAC5-oxo-1-sulfamoylpiperazine-2-carboxylic acid
SMILESNS(=O)(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C5H9N3O5S/c6-14(12,13)8-2-4(9)7-1-3(8)5(10)11/h3H,1-2H2,(H,7,9)(H,10,11)(H2,6,12,13)
InChIKeyIQOZRFVHLFDEGG-UHFFFAOYSA-N
MW223.21 g/mol
LogP-2.93
Rot. Bonds2

About 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid

5-oxo-1-sulfamoylpiperazine-2-carboxylic acid (PubChem CID 107435429) has the molecular formula C5H9N3O5S and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-sulfamoylpiperazine-2-carboxylic acid
PubChem CID107435429
Molecular FormulaC5H9N3O5S
Molecular Weight223.21 g/mol
Exact Mass223.03
IUPAC Name5-oxo-1-sulfamoylpiperazine-2-carboxylic acid
SMILESNS(=O)(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C5H9N3O5S/c6-14(12,13)8-2-4(9)7-1-3(8)5(10)11/h3H,1-2H2,(H,7,9)(H,10,11)(H2,6,12,13)
InChIKeyIQOZRFVHLFDEGG-UHFFFAOYSA-N
XLogP-2.93
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 5-2.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid (CID 107435429) is 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid is NS(=O)(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid?
The InChIKey is IQOZRFVHLFDEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O5S/c6-14(12,13)8-2-4(9)7-1-3(8)5(10)11/h3H,1-2H2,(H,7,9)(H,10,11)(H2,6,12,13).
What are the key properties of 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid?
5-oxo-1-sulfamoylpiperazine-2-carboxylic acid has a molecular weight of 223.21 g/mol, XLogP of -2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-sulfamoylpiperazine-2-carboxylic acid is sourced from PubChem (CID 107435429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).