2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C18H26N2O3S — CID 110368725

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCS(=O)(=O)N1CCN(CC(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C18H26N2O3S/c1-2-24(22,23)20-11-9-19(10-12-20)14-18(21)17-8-7-15-5-3-4-6-16(15)13-17/h7-8,13H,2-6,9-12,14H2,1H3
InChIKeyCAFFWZMDWBUMMF-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 110368725) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID110368725
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCS(=O)(=O)N1CCN(CC(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C18H26N2O3S/c1-2-24(22,23)20-11-9-19(10-12-20)14-18(21)17-8-7-15-5-3-4-6-16(15)13-17/h7-8,13H,2-6,9-12,14H2,1H3
InChIKeyCAFFWZMDWBUMMF-UHFFFAOYSA-N
XLogP1.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
2,3-dihydro-1H-inden-5-yl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810059
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 82104485
2-(4-butylsulfonylpiperazin-1-yl)-1-(3,4-dimethylphenyl)ethanone
CID 110366556
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-2-one
CID 110665602
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368714
1-(2,3-dihydro-1H-inden-5-yl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456799
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 7824027
1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 8002233

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 110368725) is 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CCS(=O)(=O)N1CCN(CC(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is CAFFWZMDWBUMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-24(22,23)20-11-9-19(10-12-20)14-18(21)17-8-7-15-5-3-4-6-16(15)13-17/h7-8,13H,2-6,9-12,14H2,1H3.
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 350.48 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 110368725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).