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

C14H16FN3O4S — CID 66751611

IUPAC3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione
SMILESCOCCN1C(=O)CCC(F)(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C14H16FN3O4S/c1-22-5-4-17-10(19)2-3-14(15,13(17)21)18-6-8-9(12(18)20)7-23-11(8)16/h7H,2-6,16H2,1H3
InChIKeyPYBHAHQZKJTAML-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.75
Rot. Bonds4

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

3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione (PubChem CID 66751611) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione
PubChem CID66751611
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione
SMILESCOCCN1C(=O)CCC(F)(N2Cc3c(csc3N)C2=O)C1=O
InChIInChI=1S/C14H16FN3O4S/c1-22-5-4-17-10(19)2-3-14(15,13(17)21)18-6-8-9(12(18)20)7-23-11(8)16/h7H,2-6,16H2,1H3
InChIKeyPYBHAHQZKJTAML-UHFFFAOYSA-N
XLogP0.75
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)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-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione?
The IUPAC name of 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione (CID 66751611) is 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione is COCCN1C(=O)CCC(F)(N2Cc3c(csc3N)C2=O)C1=O.
What is the InChIKey of 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione?
The InChIKey is PYBHAHQZKJTAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-22-5-4-17-10(19)2-3-14(15,13(17)21)18-6-8-9(12(18)20)7-23-11(8)16/h7H,2-6,16H2,1H3.
What are the key properties of 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione?
3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione has a molecular weight of 341.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione is sourced from PubChem (CID 66751611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).