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

C11H10FN3O3S — CID 66751453

IUPAC3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione
SMILESNc1scc2c1CN(C1(F)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C11H10FN3O3S/c12-11(2-1-7(16)14-10(11)18)15-3-5-6(9(15)17)4-19-8(5)13/h4H,1-3,13H2,(H,14,16,18)
InChIKeyUJWSHQURLVKCCF-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.39
Rot. Bonds1

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

3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione (PubChem CID 66751453) has the molecular formula C11H10FN3O3S and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione
PubChem CID66751453
Molecular FormulaC11H10FN3O3S
Molecular Weight283.28 g/mol
Exact Mass283.04
IUPAC Name3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione
SMILESNc1scc2c1CN(C1(F)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C11H10FN3O3S/c12-11(2-1-7(16)14-10(11)18)15-3-5-6(9(15)17)4-19-8(5)13/h4H,1-3,13H2,(H,14,16,18)
InChIKeyUJWSHQURLVKCCF-UHFFFAOYSA-N
XLogP0.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione?
The IUPAC name of 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione (CID 66751453) is 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione.
What is the SMILES notation for 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione?
The canonical SMILES for 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione is Nc1scc2c1CN(C1(F)CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione?
The InChIKey is UJWSHQURLVKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3S/c12-11(2-1-7(16)14-10(11)18)15-3-5-6(9(15)17)4-19-8(5)13/h4H,1-3,13H2,(H,14,16,18).
What are the key properties of 3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione?
3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione has a molecular weight of 283.28 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 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-fluoropiperidine-2,6-dione is sourced from PubChem (CID 66751453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).