2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone

C17H22OS2 — CID 103344954

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
SMILESCC1SCC(C(=O)Cc2ccc3c(c2)CCC3)SC1C
InChIInChI=1S/C17H22OS2/c1-11-12(2)20-17(10-19-11)16(18)9-13-6-7-14-4-3-5-15(14)8-13/h6-8,11-12,17H,3-5,9-10H2,1-2H3
InChIKeyBSXUPZIRXRWYTR-UHFFFAOYSA-N
MW306.50 g/mol
LogP3.91
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone (PubChem CID 103344954) has the molecular formula C17H22OS2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
PubChem CID103344954
Molecular FormulaC17H22OS2
Molecular Weight306.50 g/mol
Exact Mass306.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
SMILESCC1SCC(C(=O)Cc2ccc3c(c2)CCC3)SC1C
InChIInChI=1S/C17H22OS2/c1-11-12(2)20-17(10-19-11)16(18)9-13-6-7-14-4-3-5-15(14)8-13/h6-8,11-12,17H,3-5,9-10H2,1-2H3
InChIKeyBSXUPZIRXRWYTR-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
CID 80622050
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylcyclopropyl)ethanone
CID 65420155
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
2-(3-bromothiophen-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
CID 103344700
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone
CID 114974399
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116576079
3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
CID 116558583
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone (CID 103344954) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone is CC1SCC(C(=O)Cc2ccc3c(c2)CCC3)SC1C.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone?
The InChIKey is BSXUPZIRXRWYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS2/c1-11-12(2)20-17(10-19-11)16(18)9-13-6-7-14-4-3-5-15(14)8-13/h6-8,11-12,17H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone has a molecular weight of 306.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone is sourced from PubChem (CID 103344954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).