5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione

C14H15N3O4S — CID 59765321

IUPAC5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione
SMILESCCN1C(=O)CCC(N2C(=O)c3csc(NC)c3C2=O)C1=O
InChIInChI=1S/C14H15N3O4S/c1-3-16-9(18)5-4-8(13(16)20)17-12(19)7-6-22-11(15-2)10(7)14(17)21/h6,8,15H,3-5H2,1-2H3
InChIKeySQXQSBYBGFXERD-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.92
Rot. Bonds3

About 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione

5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765321) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765321
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione
SMILESCCN1C(=O)CCC(N2C(=O)c3csc(NC)c3C2=O)C1=O
InChIInChI=1S/C14H15N3O4S/c1-3-16-9(18)5-4-8(13(16)20)17-12(19)7-6-22-11(15-2)10(7)14(17)21/h6,8,15H,3-5H2,1-2H3
InChIKeySQXQSBYBGFXERD-UHFFFAOYSA-N
XLogP0.92
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione with MolForge

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Related Compounds

2-acetamido-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408625
3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione
CID 66751453
N-[5-[(3S)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide
CID 66751461
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(hydroxymethyl)piperidine-2,6-dione
CID 66751466
3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-1-ethyl-3-fluoropiperidine-2,6-dione
CID 66751468
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-1-ethyl-3-fluoropiperidine-2,6-dione
CID 66751480
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione
CID 66751494
(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-1-ethyl-3-fluoropiperidine-2,6-dione
CID 66751578
(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione
CID 66751584
(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(hydroxymethyl)piperidine-2,6-dione
CID 66751598
3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione
CID 66751611
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione
CID 66751621

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione (CID 59765321) is 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione is CCN1C(=O)CCC(N2C(=O)c3csc(NC)c3C2=O)C1=O.
What is the InChIKey of 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is SQXQSBYBGFXERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-3-16-9(18)5-4-8(13(16)20)17-12(19)7-6-22-11(15-2)10(7)14(17)21/h6,8,15H,3-5H2,1-2H3.
What are the key properties of 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione?
5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 321.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-2,6-dioxopiperidin-3-yl)-3-(methylamino)thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).