2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid

C10H18N2O5S — CID 113361074

IUPAC2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H18N2O5S/c11-18(16,17)6-2-5-12-9(13)7-3-1-4-8(7)10(14)15/h7-8H,1-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
InChIKeyIQULMCHWHPWZRE-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.72
Rot. Bonds6

About 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid

2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 113361074) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID113361074
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESNS(=O)(=O)CCCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H18N2O5S/c11-18(16,17)6-2-5-12-9(13)7-3-1-4-8(7)10(14)15/h7-8H,1-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
InChIKeyIQULMCHWHPWZRE-UHFFFAOYSA-N
XLogP-0.72
TPSA126.56 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 ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 102688396
3-(3-sulfamoylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043374
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840
2-[2-(methylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106334704
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43546075
N-(3-sulfamoylpropyl)thiane-2-carboxamide
CID 80596435
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449

Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid (CID 113361074) is 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid is NS(=O)(=O)CCCNC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is IQULMCHWHPWZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c11-18(16,17)6-2-5-12-9(13)7-3-1-4-8(7)10(14)15/h7-8H,1-6H2,(H,12,13)(H,14,15)(H2,11,16,17).
What are the key properties of 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of -0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113361074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).