4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid

C14H15NO4S2 — CID 79131992

IUPAC4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SC2CC(=O)N(C3CCCC3)C2=O)cs1
InChIInChI=1S/C14H15NO4S2/c16-12-6-10(13(17)15(12)8-3-1-2-4-8)21-9-5-11(14(18)19)20-7-9/h5,7-8,10H,1-4,6H2,(H,18,19)
InChIKeyROIJJWVUKYTPBK-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.61
Rot. Bonds4

About 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid

4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid (PubChem CID 79131992) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid
PubChem CID79131992
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SC2CC(=O)N(C3CCCC3)C2=O)cs1
InChIInChI=1S/C14H15NO4S2/c16-12-6-10(13(17)15(12)8-3-1-2-4-8)21-9-5-11(14(18)19)20-7-9/h5,7-8,10H,1-4,6H2,(H,18,19)
InChIKeyROIJJWVUKYTPBK-UHFFFAOYSA-N
XLogP2.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid (CID 79131992) is 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid is O=C(O)c1cc(SC2CC(=O)N(C3CCCC3)C2=O)cs1.
What is the InChIKey of 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid?
The InChIKey is ROIJJWVUKYTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c16-12-6-10(13(17)15(12)8-3-1-2-4-8)21-9-5-11(14(18)19)20-7-9/h5,7-8,10H,1-4,6H2,(H,18,19).
What are the key properties of 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid?
4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79131992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).