2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone

C15H19NO2S — CID 11572666

IUPAC2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CS(=O)C1CCc2ccccc21)N1CCCC1
InChIInChI=1S/C15H19NO2S/c17-15(16-9-3-4-10-16)11-19(18)14-8-7-12-5-1-2-6-13(12)14/h1-2,5-6,14H,3-4,7-11H2
InChIKeyQZPGDUXMJWUICW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.05
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone

2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone (PubChem CID 11572666) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone
PubChem CID11572666
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CS(=O)C1CCc2ccccc21)N1CCCC1
InChIInChI=1S/C15H19NO2S/c17-15(16-9-3-4-10-16)11-19(18)14-8-7-12-5-1-2-6-13(12)14/h1-2,5-6,14H,3-4,7-11H2
InChIKeyQZPGDUXMJWUICW-UHFFFAOYSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone 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 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone (CID 11572666) is 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone is O=C(CS(=O)C1CCc2ccccc21)N1CCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is QZPGDUXMJWUICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-15(16-9-3-4-10-16)11-19(18)14-8-7-12-5-1-2-6-13(12)14/h1-2,5-6,14H,3-4,7-11H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone?
2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 277.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-ylsulfinyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 11572666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).