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

C14H16N2O4S — CID 66751502

IUPAC1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESCOCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O
InChIInChI=1S/C14H16N2O4S/c1-20-5-4-15-12(17)3-2-11(14(15)19)16-6-9-7-21-8-10(9)13(16)18/h7-8,11H,2-6H2,1H3
InChIKeyRBWHCWZLENHVCB-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.87
Rot. Bonds4

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

1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione (PubChem CID 66751502) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
PubChem CID66751502
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESCOCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O
InChIInChI=1S/C14H16N2O4S/c1-20-5-4-15-12(17)3-2-11(14(15)19)16-6-9-7-21-8-10(9)13(16)18/h7-8,11H,2-6H2,1H3
InChIKeyRBWHCWZLENHVCB-UHFFFAOYSA-N
XLogP0.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.87
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 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione (CID 66751502) is 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione is COCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The InChIKey is RBWHCWZLENHVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-20-5-4-15-12(17)3-2-11(14(15)19)16-6-9-7-21-8-10(9)13(16)18/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione has a molecular weight of 308.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione is sourced from PubChem (CID 66751502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).