5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid

C8H15N3O5S — CID 107435281

IUPAC5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C8H15N3O5S/c1-5(2)10-17(15,16)11-4-7(12)9-3-6(11)8(13)14/h5-6,10H,3-4H2,1-2H3,(H,9,12)(H,13,14)
InChIKeyBBNGSACTPXECOG-UHFFFAOYSA-N
MW265.29 g/mol
LogP-1.89
Rot. Bonds4

About 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid

5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid (PubChem CID 107435281) has the molecular formula C8H15N3O5S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid
PubChem CID107435281
Molecular FormulaC8H15N3O5S
Molecular Weight265.29 g/mol
Exact Mass265.07
IUPAC Name5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C8H15N3O5S/c1-5(2)10-17(15,16)11-4-7(12)9-3-6(11)8(13)14/h5-6,10H,3-4H2,1-2H3,(H,9,12)(H,13,14)
InChIKeyBBNGSACTPXECOG-UHFFFAOYSA-N
XLogP-1.89
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435552
1-(2-methylpropylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435503
5-oxo-1-sulfamoylpiperazine-2-carboxylic acid
CID 107435429
1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107435221
1-(cyclopropylmethylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435332
5-oxo-1-prop-2-enylsulfonylpiperazine-2-carboxylic acid
CID 107435376
1-(3,3-dimethylbutylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435546
1-(4-methoxy-4-oxobutyl)sulfonyl-5-oxopiperazine-2-carboxylic acid
CID 107435343
1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid
CID 107432994
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid
CID 107435224
1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxylic acid
CID 107439808

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid (CID 107435281) is 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid is CC(C)NS(=O)(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid?
The InChIKey is BBNGSACTPXECOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5S/c1-5(2)10-17(15,16)11-4-7(12)9-3-6(11)8(13)14/h5-6,10H,3-4H2,1-2H3,(H,9,12)(H,13,14).
What are the key properties of 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid?
5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of -1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 107435281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).