1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone

C15H15NOS — CID 106847990

IUPAC1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
SMILESCCSc1ccc(C(=O)Cc2cccnc2)cc1
InChIInChI=1S/C15H15NOS/c1-2-18-14-7-5-13(6-8-14)15(17)10-12-4-3-9-16-11-12/h3-9,11H,2,10H2,1H3
InChIKeyNLRTXTPXYGEHNI-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone

1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone (PubChem CID 106847990) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
PubChem CID106847990
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
SMILESCCSc1ccc(C(=O)Cc2cccnc2)cc1
InChIInChI=1S/C15H15NOS/c1-2-18-14-7-5-13(6-8-14)15(17)10-12-4-3-9-16-11-12/h3-9,11H,2,10H2,1H3
InChIKeyNLRTXTPXYGEHNI-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
CID 116505569
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847844

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone (CID 106847990) is 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone is CCSc1ccc(C(=O)Cc2cccnc2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone?
The InChIKey is NLRTXTPXYGEHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-2-18-14-7-5-13(6-8-14)15(17)10-12-4-3-9-16-11-12/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone?
1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone has a molecular weight of 257.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 106847990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).