1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone

C15H14N2OS — CID 892299

IUPAC1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)N1CCc2ccccc21
InChIInChI=1S/C15H14N2OS/c18-15(11-19-14-7-3-4-9-16-14)17-10-8-12-5-1-2-6-13(12)17/h1-7,9H,8,10-11H2
InChIKeyPZKJXGYODJVQBH-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.76
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone

1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 892299) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
PubChem CID892299
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)N1CCc2ccccc21
InChIInChI=1S/C15H14N2OS/c18-15(11-19-14-7-3-4-9-16-14)17-10-8-12-5-1-2-6-13(12)17/h1-7,9H,8,10-11H2
InChIKeyPZKJXGYODJVQBH-UHFFFAOYSA-N
XLogP2.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ST4014630
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1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone (CID 892299) is 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is PZKJXGYODJVQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15(11-19-14-7-3-4-9-16-14)17-10-8-12-5-1-2-6-13(12)17/h1-7,9H,8,10-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone?
1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 270.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 892299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).