3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C10H18N2O5S — CID 114174954

IUPAC3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCNS(=O)(=O)CCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O5S/c1-11-18(16,17)5-4-12-9(13)7-2-3-8(6-7)10(14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyQJGAGXLQGVKZGE-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.85
Rot. Bonds6

About 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114174954) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114174954
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCNS(=O)(=O)CCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C10H18N2O5S/c1-11-18(16,17)5-4-12-9(13)7-2-3-8(6-7)10(14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyQJGAGXLQGVKZGE-UHFFFAOYSA-N
XLogP-0.85
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106334704
4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106340446
4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106341830
4-(2-methylsulfonylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784503
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
N-[2-(methylsulfamoyl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 131909816
2,2-dimethyl-3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106334718
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
2-amino-N-[2-(methylsulfamoyl)ethyl]cycloheptane-1-carboxamide
CID 106336914
3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551169
ethane;3-[2-(methylamino)ethylsulfonylamino]cyclopentane-1-carboxylic acid
CID 162751325
6-methyl-N-[2-(methylsulfamoyl)ethyl]piperidine-2-carboxamide
CID 114175577

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114174954) is 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CNS(=O)(=O)CCNC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is QJGAGXLQGVKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-11-18(16,17)5-4-12-9(13)7-2-3-8(6-7)10(14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114174954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).