4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid

C8H14N2O4S — CID 114806573

IUPAC4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCCNS(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C8H14N2O4S/c1-2-9-15(13,14)10-7-4-3-6(5-7)8(11)12/h3-4,6-7,9-10H,2,5H2,1H3,(H,11,12)
InChIKeyZTMAZOUJFRHMCN-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.54
Rot. Bonds5

About 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 114806573) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID114806573
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCCNS(=O)(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C8H14N2O4S/c1-2-9-15(13,14)10-7-4-3-6(5-7)8(11)12/h3-4,6-7,9-10H,2,5H2,1H3,(H,11,12)
InChIKeyZTMAZOUJFRHMCN-UHFFFAOYSA-N
XLogP-0.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 114806573) is 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid is CCNS(=O)(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ZTMAZOUJFRHMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-2-9-15(13,14)10-7-4-3-6(5-7)8(11)12/h3-4,6-7,9-10H,2,5H2,1H3,(H,11,12).
What are the key properties of 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 114806573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).