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

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Related Compounds

3-(3-sulfamoylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043374
3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732
3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039169
3-[3-(ethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63041759
3-(3-ethoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146734
3-[4-(dimethylamino)butylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63044112
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
3-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039971
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847

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).