2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

C17H17NOS — CID 890322

IUPAC2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSCc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C17H17NOS/c19-17(13-20-12-14-6-2-1-3-7-14)18-11-10-15-8-4-5-9-16(15)18/h1-9H,10-13H2
InChIKeyLSQHNPGIDLXKOQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.51
Rot. Bonds4

About 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 890322) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID890322
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSCc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C17H17NOS/c19-17(13-20-12-14-6-2-1-3-7-14)18-11-10-15-8-4-5-9-16(15)18/h1-9H,10-13H2
InChIKeyLSQHNPGIDLXKOQ-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (CID 890322) is 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CSCc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is LSQHNPGIDLXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-17(13-20-12-14-6-2-1-3-7-14)18-11-10-15-8-4-5-9-16(15)18/h1-9H,10-13H2.
What are the key properties of 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 283.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 890322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).