5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione

C12H11N3O4S — CID 59765315

IUPAC5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione
SMILESCNc1scc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C12H11N3O4S/c1-13-10-8-5(4-20-10)11(18)15(12(8)19)6-2-3-7(16)14-9(6)17/h4,6,13H,2-3H2,1H3,(H,14,16,17)
InChIKeyFFUPWURRBSGPON-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.19
Rot. Bonds2

About 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione

5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765315) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765315
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione
SMILESCNc1scc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C12H11N3O4S/c1-13-10-8-5(4-20-10)11(18)15(12(8)19)6-2-3-7(16)14-9(6)17/h4,6,13H,2-3H2,1H3,(H,14,16,17)
InChIKeyFFUPWURRBSGPON-UHFFFAOYSA-N
XLogP0.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione (CID 59765315) is 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione is CNc1scc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is FFUPWURRBSGPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-13-10-8-5(4-20-10)11(18)15(12(8)19)6-2-3-7(16)14-9(6)17/h4,6,13H,2-3H2,1H3,(H,14,16,17).
What are the key properties of 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione?
5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 293.30 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).