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

C17H16N2O3S2 — CID 66751913

IUPAC3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cscc3C2=O)C(=O)N1CCc1cccs1
InChIInChI=1S/C17H16N2O3S2/c20-15-4-3-14(19-8-11-9-23-10-13(11)16(19)21)17(22)18(15)6-5-12-2-1-7-24-12/h1-2,7,9-10,14H,3-6,8H2
InChIKeyNPYIAQXUYIWXMI-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.53
Rot. Bonds4

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

3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione (PubChem CID 66751913) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
PubChem CID66751913
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cscc3C2=O)C(=O)N1CCc1cccs1
InChIInChI=1S/C17H16N2O3S2/c20-15-4-3-14(19-8-11-9-23-10-13(11)16(19)21)17(22)18(15)6-5-12-2-1-7-24-12/h1-2,7,9-10,14H,3-6,8H2
InChIKeyNPYIAQXUYIWXMI-UHFFFAOYSA-N
XLogP2.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione?
The IUPAC name of 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione (CID 66751913) is 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione is O=C1CCC(N2Cc3cscc3C2=O)C(=O)N1CCc1cccs1.
What is the InChIKey of 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione?
The InChIKey is NPYIAQXUYIWXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c20-15-4-3-14(19-8-11-9-23-10-13(11)16(19)21)17(22)18(15)6-5-12-2-1-7-24-12/h1-2,7,9-10,14H,3-6,8H2.
What are the key properties of 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione?
3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione has a molecular weight of 360.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione is sourced from PubChem (CID 66751913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).