3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid

C10H19N3O5S — CID 63043362

IUPAC3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)CCNC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C10H19N3O5S/c11-19(17,18)5-4-12-10(16)13-8-3-1-2-7(6-8)9(14)15/h7-8H,1-6H2,(H,14,15)(H2,11,17,18)(H2,12,13,16)
InChIKeyLTTATWWNCZJDIW-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.78
Rot. Bonds5

About 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid

3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 63043362) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID63043362
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)CCNC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C10H19N3O5S/c11-19(17,18)5-4-12-10(16)13-8-3-1-2-7(6-8)9(14)15/h7-8H,1-6H2,(H,14,15)(H2,11,17,18)(H2,12,13,16)
InChIKeyLTTATWWNCZJDIW-UHFFFAOYSA-N
XLogP-0.78
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(2-sulfamoylethylcarbamoylamino)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

Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 63043362) is 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid is NS(=O)(=O)CCNC(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LTTATWWNCZJDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c11-19(17,18)5-4-12-10(16)13-8-3-1-2-7(6-8)9(14)15/h7-8H,1-6H2,(H,14,15)(H2,11,17,18)(H2,12,13,16).
What are the key properties of 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfamoylethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).