1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone

C16H16FNO2S2 — CID 47022797

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone
SMILESO=C(CS(=O)Cc1ccccc1F)N1CCc2sccc2C1
InChIInChI=1S/C16H16FNO2S2/c17-14-4-2-1-3-13(14)10-22(20)11-16(19)18-7-5-15-12(9-18)6-8-21-15/h1-4,6,8H,5,7,9-11H2
InChIKeyHJWOVYJJNBGADA-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.72
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone (PubChem CID 47022797) has the molecular formula C16H16FNO2S2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone
PubChem CID47022797
Molecular FormulaC16H16FNO2S2
Molecular Weight337.44 g/mol
Exact Mass337.06
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone
SMILESO=C(CS(=O)Cc1ccccc1F)N1CCc2sccc2C1
InChIInChI=1S/C16H16FNO2S2/c17-14-4-2-1-3-13(14)10-22(20)11-16(19)18-7-5-15-12(9-18)6-8-21-15/h1-4,6,8H,5,7,9-11H2
InChIKeyHJWOVYJJNBGADA-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone (CID 47022797) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone is O=C(CS(=O)Cc1ccccc1F)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone?
The InChIKey is HJWOVYJJNBGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S2/c17-14-4-2-1-3-13(14)10-22(20)11-16(19)18-7-5-15-12(9-18)6-8-21-15/h1-4,6,8H,5,7,9-11H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone has a molecular weight of 337.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone is sourced from PubChem (CID 47022797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).