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

C10H9N3O3S — CID 153305161

IUPAC3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione
SMILESNc1csc2c1CN(C1CC(=O)NC1=O)C2=O
InChIInChI=1S/C10H9N3O3S/c11-5-3-17-8-4(5)2-13(10(8)16)6-1-7(14)12-9(6)15/h3,6H,1-2,11H2,(H,12,14,15)
InChIKeyTWHNLCHXVUAQBR-UHFFFAOYSA-N
MW251.27 g/mol
LogP-0.30
Rot. Bonds1

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

3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione (PubChem CID 153305161) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione
PubChem CID153305161
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione
SMILESNc1csc2c1CN(C1CC(=O)NC1=O)C2=O
InChIInChI=1S/C10H9N3O3S/c11-5-3-17-8-4(5)2-13(10(8)16)6-1-7(14)12-9(6)15/h3,6H,1-2,11H2,(H,12,14,15)
InChIKeyTWHNLCHXVUAQBR-UHFFFAOYSA-N
XLogP-0.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 156817498
3-(7-amino-4,5-dideuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 46865765
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
(3S)-3-(3-bromo-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608405
5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione
CID 46208616
3-(7-amino-5-deuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575829
3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608334
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166490098
5-(7-amino-3-oxo-1H-isoindol-2-yl)-3,3,4-trideuteriopiperidine-2,6-dione
CID 88575828
1-(3-chloro-4-methylphenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]methyl]urea
CID 135291349
2-(2,5-dioxopyrrolidin-3-yl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 167737443

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione (CID 153305161) is 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione is Nc1csc2c1CN(C1CC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione?
The InChIKey is TWHNLCHXVUAQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c11-5-3-17-8-4(5)2-13(10(8)16)6-1-7(14)12-9(6)15/h3,6H,1-2,11H2,(H,12,14,15).
What are the key properties of 3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione?
3-(3-amino-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione has a molecular weight of 251.27 g/mol, XLogP of -0.30, 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[2,3-c]pyrrol-5-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 153305161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).