3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione

C12H11FN2O4S — CID 66751519

IUPAC3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESO=C1CCC(F)(N2Cc3cscc3C2=O)C(=O)N1CO
InChIInChI=1S/C12H11FN2O4S/c13-12(2-1-9(17)14(6-16)11(12)19)15-3-7-4-20-5-8(7)10(15)18/h4-5,16H,1-3,6H2
InChIKeySKOABOXZTZGKRL-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.47
Rot. Bonds2

About 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione

3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione (PubChem CID 66751519) has the molecular formula C12H11FN2O4S and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
PubChem CID66751519
Molecular FormulaC12H11FN2O4S
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC Name3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESO=C1CCC(F)(N2Cc3cscc3C2=O)C(=O)N1CO
InChIInChI=1S/C12H11FN2O4S/c13-12(2-1-9(17)14(6-16)11(12)19)15-3-7-4-20-5-8(7)10(15)18/h4-5,16H,1-3,6H2
InChIKeySKOABOXZTZGKRL-UHFFFAOYSA-N
XLogP0.47
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-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-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The IUPAC name of 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione (CID 66751519) is 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The canonical SMILES for 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione is O=C1CCC(F)(N2Cc3cscc3C2=O)C(=O)N1CO.
What is the InChIKey of 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The InChIKey is SKOABOXZTZGKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S/c13-12(2-1-9(17)14(6-16)11(12)19)15-3-7-4-20-5-8(7)10(15)18/h4-5,16H,1-3,6H2.
What are the key properties of 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione has a molecular weight of 298.29 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(hydroxymethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione is sourced from PubChem (CID 66751519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).