1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one

C16H17NO2S — CID 6494124

IUPAC1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one
SMILESO=C(CSCc1ccco1)CN1CCc2ccccc21
InChIInChI=1S/C16H17NO2S/c18-14(11-20-12-15-5-3-9-19-15)10-17-8-7-13-4-1-2-6-16(13)17/h1-6,9H,7-8,10-12H2
InChIKeyPIJGPJUBOBOOJP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.14
Rot. Bonds6

About 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one

1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one (PubChem CID 6494124) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one
PubChem CID6494124
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one
SMILESO=C(CSCc1ccco1)CN1CCc2ccccc21
InChIInChI=1S/C16H17NO2S/c18-14(11-20-12-15-5-3-9-19-15)10-17-8-7-13-4-1-2-6-16(13)17/h1-6,9H,7-8,10-12H2
InChIKeyPIJGPJUBOBOOJP-UHFFFAOYSA-N
XLogP3.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one (CID 6494124) is 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one is O=C(CSCc1ccco1)CN1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one?
The InChIKey is PIJGPJUBOBOOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-14(11-20-12-15-5-3-9-19-15)10-17-8-7-13-4-1-2-6-16(13)17/h1-6,9H,7-8,10-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one?
1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one has a molecular weight of 287.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(furan-2-ylmethylsulfanyl)propan-2-one is sourced from PubChem (CID 6494124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).