2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C12H21N3O5S — CID 61041905

IUPAC2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)N1CCN(C(=O)C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C12H21N3O5S/c13-21(19,20)15-7-5-14(6-8-15)11(16)9-3-1-2-4-10(9)12(17)18/h9-10H,1-8H2,(H,17,18)(H2,13,19,20)
InChIKeyNZAMWDWRCUYMCB-UHFFFAOYSA-N
MW319.38 g/mol
LogP-0.77
Rot. Bonds3

About 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 61041905) has the molecular formula C12H21N3O5S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID61041905
Molecular FormulaC12H21N3O5S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Name2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)N1CCN(C(=O)C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C12H21N3O5S/c13-21(19,20)15-7-5-14(6-8-15)11(16)9-3-1-2-4-10(9)12(17)18/h9-10H,1-8H2,(H,17,18)(H2,13,19,20)
InChIKeyNZAMWDWRCUYMCB-UHFFFAOYSA-N
XLogP-0.77
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-(4-methylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 60953415
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
4-(cycloheptanecarbonyl)piperazine-1-sulfonamide
CID 62588341
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311
cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 42427085
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386
cis-(1R,2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 27527765
2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120976907
cis-(1S,2R)-2-(1-oxo-1,4-thiazinane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 94243487
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 61041905) is 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is NS(=O)(=O)N1CCN(C(=O)C2CCCCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is NZAMWDWRCUYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5S/c13-21(19,20)15-7-5-14(6-8-15)11(16)9-3-1-2-4-10(9)12(17)18/h9-10H,1-8H2,(H,17,18)(H2,13,19,20).
What are the key properties of 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61041905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).