3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid

C13H13NO4S3 — CID 61206682

IUPAC3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C13H13NO4S3/c15-13(16)12-11(4-5-19-12)21(17,18)14-7-9-6-8-2-1-3-10(8)20-9/h4-6,14H,1-3,7H2,(H,15,16)
InChIKeyAPJKKMIPYFIKGF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.47
Rot. Bonds5

About 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid

3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61206682) has the molecular formula C13H13NO4S3 and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61206682
Molecular FormulaC13H13NO4S3
Molecular Weight343.45 g/mol
Exact Mass343.00
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C13H13NO4S3/c15-13(16)12-11(4-5-19-12)21(17,18)14-7-9-6-8-2-1-3-10(8)20-9/h4-6,14H,1-3,7H2,(H,15,16)
InChIKeyAPJKKMIPYFIKGF-UHFFFAOYSA-N
XLogP2.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid (CID 61206682) is 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NCc1cc2c(s1)CCC2.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is APJKKMIPYFIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S3/c15-13(16)12-11(4-5-19-12)21(17,18)14-7-9-6-8-2-1-3-10(8)20-9/h4-6,14H,1-3,7H2,(H,15,16).
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 343.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61206682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).