1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone

C16H15NOS — CID 132598085

IUPAC1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2ccc(Sc3ccccc3)cc21
InChIInChI=1S/C16H15NOS/c1-12(18)17-10-9-13-7-8-15(11-16(13)17)19-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyHXXJUHVBWCEEGW-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.75
Rot. Bonds2

About 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone

1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 132598085) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID132598085
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2ccc(Sc3ccccc3)cc21
InChIInChI=1S/C16H15NOS/c1-12(18)17-10-9-13-7-8-15(11-16(13)17)19-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyHXXJUHVBWCEEGW-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
CID 117364823
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
3-methyl-7-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine
CID 22368283
2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
CID 168516279
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
1-[5-(hydroxymethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117033391
1-acetyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 172687576
5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459383
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfanyl]acetonitrile
CID 117033962

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone (CID 132598085) is 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2ccc(Sc3ccccc3)cc21.
What is the InChIKey of 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is HXXJUHVBWCEEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-12(18)17-10-9-13-7-8-15(11-16(13)17)19-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone?
1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 269.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 132598085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).