1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid

C6H11N3O5S — CID 107435552

IUPAC1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCNS(=O)(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C6H11N3O5S/c1-7-15(13,14)9-3-5(10)8-2-4(9)6(11)12/h4,7H,2-3H2,1H3,(H,8,10)(H,11,12)
InChIKeyQUSHYNMSFKBHKN-UHFFFAOYSA-N
MW237.24 g/mol
LogP-2.66
Rot. Bonds3

About 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid

1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107435552) has the molecular formula C6H11N3O5S and a molecular weight of 237.24 g/mol. Its IUPAC name is 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107435552
Molecular FormulaC6H11N3O5S
Molecular Weight237.24 g/mol
Exact Mass237.04
IUPAC Name1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCNS(=O)(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C6H11N3O5S/c1-7-15(13,14)9-3-5(10)8-2-4(9)6(11)12/h4,7H,2-3H2,1H3,(H,8,10)(H,11,12)
InChIKeyQUSHYNMSFKBHKN-UHFFFAOYSA-N
XLogP-2.66
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 5-2.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid (CID 107435552) is 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid is CNS(=O)(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is QUSHYNMSFKBHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O5S/c1-7-15(13,14)9-3-5(10)8-2-4(9)6(11)12/h4,7H,2-3H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid?
1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 237.24 g/mol, XLogP of -2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107435552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).