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

C15H22N2OS — CID 43227541

IUPAC2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCN1CCN(CC(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)12-15(18)13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3
InChIKeyJWWDVQXFBCFUEV-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.23
Rot. Bonds5

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

2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 43227541) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID43227541
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCN1CCN(CC(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)12-15(18)13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3
InChIKeyJWWDVQXFBCFUEV-UHFFFAOYSA-N
XLogP2.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 93193093
1-(4-methylsulfanylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62993989
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 63633578
2-(1,3-dihydroisoindol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62206768
2-(3-methoxy-3-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 107393652
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
2-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62974882
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
CID 78833524
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 102960399
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023423

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone (CID 43227541) is 2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone is CCN1CCN(CC(=O)c2ccc(SC)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is JWWDVQXFBCFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)12-15(18)13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 278.42 g/mol, XLogP of 2.23, 5 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-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 43227541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).