1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one

C17H19NOS2 — CID 11681250

IUPAC1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one
SMILESCC(C)(Sc1ccccc1)C(=O)N1CCc2ccsc2C1
InChIInChI=1S/C17H19NOS2/c1-17(2,21-14-6-4-3-5-7-14)16(19)18-10-8-13-9-11-20-15(13)12-18/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyCWHBIQYCDHYJHZ-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.20
Rot. Bonds3

About 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one

1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one (PubChem CID 11681250) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one
PubChem CID11681250
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one
SMILESCC(C)(Sc1ccccc1)C(=O)N1CCc2ccsc2C1
InChIInChI=1S/C17H19NOS2/c1-17(2,21-14-6-4-3-5-7-14)16(19)18-10-8-13-9-11-20-15(13)12-18/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyCWHBIQYCDHYJHZ-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one?
The IUPAC name of 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one (CID 11681250) is 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one is CC(C)(Sc1ccccc1)C(=O)N1CCc2ccsc2C1.
What is the InChIKey of 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one?
The InChIKey is CWHBIQYCDHYJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-17(2,21-14-6-4-3-5-7-14)16(19)18-10-8-13-9-11-20-15(13)12-18/h3-7,9,11H,8,10,12H2,1-2H3.
What are the key properties of 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one?
1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one has a molecular weight of 317.48 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-methyl-2-phenylsulfanylpropan-1-one is sourced from PubChem (CID 11681250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).