3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione

C12H10F2N2O3S — CID 134608328

IUPAC3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(csc3C(F)F)C2=O)C(=O)N1
InChIInChI=1S/C12H10F2N2O3S/c13-10(14)9-5-3-16(12(19)6(5)4-20-9)7-1-2-8(17)15-11(7)18/h4,7,10H,1-3H2,(H,15,17,18)
InChIKeyPPORYHWHMUDUNY-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.45
Rot. Bonds2

About 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione

3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione (PubChem CID 134608328) has the molecular formula C12H10F2N2O3S and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
PubChem CID134608328
Molecular FormulaC12H10F2N2O3S
Molecular Weight300.29 g/mol
Exact Mass300.04
IUPAC Name3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(csc3C(F)F)C2=O)C(=O)N1
InChIInChI=1S/C12H10F2N2O3S/c13-10(14)9-5-3-16(12(19)6(5)4-20-9)7-1-2-8(17)15-11(7)18/h4,7,10H,1-3H2,(H,15,17,18)
InChIKeyPPORYHWHMUDUNY-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione (CID 134608328) is 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(csc3C(F)F)C2=O)C(=O)N1.
What is the InChIKey of 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The InChIKey is PPORYHWHMUDUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3S/c13-10(14)9-5-3-16(12(19)6(5)4-20-9)7-1-2-8(17)15-11(7)18/h4,7,10H,1-3H2,(H,15,17,18).
What are the key properties of 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione has a molecular weight of 300.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 134608328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).