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

C16H16FNO2S2 — CID 51077443

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone
SMILESO=C(CS(=O)Cc1ccc(F)cc1)N1CCc2sccc2C1
InChIInChI=1S/C16H16FNO2S2/c17-14-3-1-12(2-4-14)10-22(20)11-16(19)18-7-5-15-13(9-18)6-8-21-15/h1-4,6,8H,5,7,9-11H2
InChIKeyLPBZLVDESKPDQZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.72
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone (PubChem CID 51077443) 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-[(4-fluorophenyl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone
PubChem CID51077443
Molecular FormulaC16H16FNO2S2
Molecular Weight337.44 g/mol
Exact Mass337.06
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone
SMILESO=C(CS(=O)Cc1ccc(F)cc1)N1CCc2sccc2C1
InChIInChI=1S/C16H16FNO2S2/c17-14-3-1-12(2-4-14)10-22(20)11-16(19)18-7-5-15-13(9-18)6-8-21-15/h1-4,6,8H,5,7,9-11H2
InChIKeyLPBZLVDESKPDQZ-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

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

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 16326897
3-[(2-fluorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 4987742
2-[(4-fluorobenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 5045378
(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 5899069
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-fluorophenyl)methyl)-, monohydrochloride
CID 3041335
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817119
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
Cambridge id 6578772
CID 2187048
2-[2-[Benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2740357
N1-(4-fluorobenzyl)-N2-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)oxalamide
CID 16887354
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone
CID 18142221

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone (CID 51077443) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone is O=C(CS(=O)Cc1ccc(F)cc1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone?
The InChIKey is LPBZLVDESKPDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S2/c17-14-3-1-12(2-4-14)10-22(20)11-16(19)18-7-5-15-13(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-[(4-fluorophenyl)methylsulfinyl]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-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-[(4-fluorophenyl)methylsulfinyl]ethanone is sourced from PubChem (CID 51077443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).