2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone

C16H24N2OS — CID 93193093

IUPAC2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)CN2CCN(CC)CC2)cc1
InChIInChI=1S/C16H24N2OS/c1-3-17-9-11-18(12-10-17)13-16(19)14-5-7-15(8-6-14)20-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyDWSMCSYVEOFCGT-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.62
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone

2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone (PubChem CID 93193093) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone
PubChem CID93193093
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)CN2CCN(CC)CC2)cc1
InChIInChI=1S/C16H24N2OS/c1-3-17-9-11-18(12-10-17)13-16(19)14-5-7-15(8-6-14)20-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyDWSMCSYVEOFCGT-UHFFFAOYSA-N
XLogP2.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 43227541
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 82052829
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-(4-ethylsulfanylphenyl)nonan-1-one
CID 106847827
2-(4-methylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)ethanone;dihydrochloride
CID 44723853
1-(4-methylsulfanylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62993989
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
CID 106848056
1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43219918
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone (CID 93193093) is 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone is CCSc1ccc(C(=O)CN2CCN(CC)CC2)cc1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone?
The InChIKey is DWSMCSYVEOFCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-17-9-11-18(12-10-17)13-16(19)14-5-7-15(8-6-14)20-4-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone?
2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone has a molecular weight of 292.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone is sourced from PubChem (CID 93193093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).