2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone

C15H18OS — CID 80622050

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)C1CCCS1
InChIInChI=1S/C15H18OS/c16-14(15-5-2-8-17-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,15H,1-5,8,10H2
InChIKeyGFGMEOGTMPSWQX-UHFFFAOYSA-N
MW246.37 g/mol
LogP3.18
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone (PubChem CID 80622050) has the molecular formula C15H18OS and a molecular weight of 246.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
PubChem CID80622050
Molecular FormulaC15H18OS
Molecular Weight246.37 g/mol
Exact Mass246.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)C1CCCS1
InChIInChI=1S/C15H18OS/c16-14(15-5-2-8-17-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,15H,1-5,8,10H2
InChIKeyGFGMEOGTMPSWQX-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
CID 103344954
2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone
CID 80622526
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
2-(3,4-difluorophenyl)-1-(thian-2-yl)ethanone
CID 82920407
2-(4-ethylphenyl)-1-(thian-2-yl)ethanone
CID 80621728
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylcyclopropyl)ethanone
CID 65420155
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116576079
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
1-(thian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 80623249
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
CID 116558583

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone (CID 80622050) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone is O=C(Cc1ccc2c(c1)CCC2)C1CCCS1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone?
The InChIKey is GFGMEOGTMPSWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c16-14(15-5-2-8-17-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,15H,1-5,8,10H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone has a molecular weight of 246.37 g/mol, XLogP of 3.18, 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-5-yl)-1-(thiolan-2-yl)ethanone is sourced from PubChem (CID 80622050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).