1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione

C15H17NO2S — CID 79349643

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC2CSc3ccccc32)C(=O)C1C
InChIInChI=1S/C15H17NO2S/c1-9-10(2)15(18)16(14(9)17)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyVCODCVQBCZWNMH-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.52
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79349643) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79349643
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC2CSc3ccccc32)C(=O)C1C
InChIInChI=1S/C15H17NO2S/c1-9-10(2)15(18)16(14(9)17)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyVCODCVQBCZWNMH-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 79349643) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(CC2CSc3ccccc32)C(=O)C1C.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is VCODCVQBCZWNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-9-10(2)15(18)16(14(9)17)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 275.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79349643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).