1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid

C12H21N3O5S — CID 107435221

IUPAC1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C12H21N3O5S/c1-14(9-5-3-2-4-6-9)21(19,20)15-8-11(16)13-7-10(15)12(17)18/h9-10H,2-8H2,1H3,(H,13,16)(H,17,18)
InChIKeyOHFNOGWEPLPERV-UHFFFAOYSA-N
MW319.38 g/mol
LogP-0.62
Rot. Bonds4

About 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid

1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107435221) has the molecular formula C12H21N3O5S and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107435221
Molecular FormulaC12H21N3O5S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Name1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C12H21N3O5S/c1-14(9-5-3-2-4-6-9)21(19,20)15-8-11(16)13-7-10(15)12(17)18/h9-10H,2-8H2,1H3,(H,13,16)(H,17,18)
InChIKeyOHFNOGWEPLPERV-UHFFFAOYSA-N
XLogP-0.62
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-sulfamoylpiperazine-2-carboxylic acid
CID 107435429
1-(methylsulfamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435552
5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid
CID 107435281
1-(cyclopropylmethylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435332
1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60858619
1-(2-methylpropylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435503
5-oxo-1-prop-2-enylsulfonylpiperazine-2-carboxylic acid
CID 107435376
1-(3,3-dimethylbutylsulfonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435546
(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
CID 100633794
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61408756
5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid
CID 107435224

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107435221) is 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid is CN(C1CCCCC1)S(=O)(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is OHFNOGWEPLPERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5S/c1-14(9-5-3-2-4-6-9)21(19,20)15-8-11(16)13-7-10(15)12(17)18/h9-10H,2-8H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)sulfamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107435221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).