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

C12H11FN2O3S — CID 66751796

IUPAC3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESCN1C(=O)CCC(F)(N2Cc3cscc3C2=O)C1=O
InChIInChI=1S/C12H11FN2O3S/c1-14-9(16)2-3-12(13,11(14)18)15-4-7-5-19-6-8(7)10(15)17/h5-6H,2-4H2,1H3
InChIKeyCZJIPPXFKXJQJH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.15
Rot. Bonds1

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

3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione (PubChem CID 66751796) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
PubChem CID66751796
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESCN1C(=O)CCC(F)(N2Cc3cscc3C2=O)C1=O
InChIInChI=1S/C12H11FN2O3S/c1-14-9(16)2-3-12(13,11(14)18)15-4-7-5-19-6-8(7)10(15)17/h5-6H,2-4H2,1H3
InChIKeyCZJIPPXFKXJQJH-UHFFFAOYSA-N
XLogP1.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The IUPAC name of 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione (CID 66751796) is 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The canonical SMILES for 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione is CN1C(=O)CCC(F)(N2Cc3cscc3C2=O)C1=O.
What is the InChIKey of 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The InChIKey is CZJIPPXFKXJQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-14-9(16)2-3-12(13,11(14)18)15-4-7-5-19-6-8(7)10(15)17/h5-6H,2-4H2,1H3.
What are the key properties of 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione has a molecular weight of 282.30 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione is sourced from PubChem (CID 66751796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).