1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid

C10H11NO4S2 — CID 166265728

IUPAC1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccs2)CC=CC1
InChIInChI=1S/C10H11NO4S2/c12-9(13)10(5-1-2-6-10)11-17(14,15)8-4-3-7-16-8/h1-4,7,11H,5-6H2,(H,12,13)
InChIKeyQPPGNFYRZZUJAC-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.20
Rot. Bonds4

About 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid

1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid (PubChem CID 166265728) has the molecular formula C10H11NO4S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid
PubChem CID166265728
Molecular FormulaC10H11NO4S2
Molecular Weight273.33 g/mol
Exact Mass273.01
IUPAC Name1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccs2)CC=CC1
InChIInChI=1S/C10H11NO4S2/c12-9(13)10(5-1-2-6-10)11-17(14,15)8-4-3-7-16-8/h1-4,7,11H,5-6H2,(H,12,13)
InChIKeyQPPGNFYRZZUJAC-UHFFFAOYSA-N
XLogP1.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61291839
1-(thiophen-2-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123756
1-(thiophen-2-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61124079
N-(1-methylcyclopropyl)thiophene-2-sulfonamide
CID 130660498
ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 51117335
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
thiophen-2-ylsulfonylurea;urea
CID 19065180
N-pyridin-1-ium-1-ylthiophene-2-sulfonamide
CID 175479061
N-thiophen-2-ylsulfonylcyclopropanecarboxamide
CID 47232134
N-fluorothiophene-2-sulfonamide
CID 175398216
N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
CID 110440540
N-(1-cyanocycloheptyl)thiophene-2-sulfonamide
CID 61123105

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid (CID 166265728) is 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2cccs2)CC=CC1.
What is the InChIKey of 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid?
The InChIKey is QPPGNFYRZZUJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S2/c12-9(13)10(5-1-2-6-10)11-17(14,15)8-4-3-7-16-8/h1-4,7,11H,5-6H2,(H,12,13).
What are the key properties of 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid?
1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylsulfonylamino)cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 166265728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).