1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one

C11H20N2O5S — CID 71119723

IUPAC1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one
SMILESCCS(=O)(=O)N1CCN(C(=O)COCC(C)=O)CC1
InChIInChI=1S/C11H20N2O5S/c1-3-19(16,17)13-6-4-12(5-7-13)11(15)9-18-8-10(2)14/h3-9H2,1-2H3
InChIKeyMDGQTDQFWPSFQT-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.91
Rot. Bonds6

About 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one

1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one (PubChem CID 71119723) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one
PubChem CID71119723
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one
SMILESCCS(=O)(=O)N1CCN(C(=O)COCC(C)=O)CC1
InChIInChI=1S/C11H20N2O5S/c1-3-19(16,17)13-6-4-12(5-7-13)11(15)9-18-8-10(2)14/h3-9H2,1-2H3
InChIKeyMDGQTDQFWPSFQT-UHFFFAOYSA-N
XLogP-0.91
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Methylpropoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 45818551
2-Ethoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 45823348
2-Hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 75399750
2-Hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
CID 75443852
2,2-Dimethoxy-1-[4-(2-methylpropylsulfonyl)piperazin-1-yl]ethanone
CID 132388904
Ethyl 2-[4-(cyclopropanesulfonyl)piperazin-1-yl]-2-oxoacetate
CID 49670718
1-(4-Ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
N-[2-[ethyl(methyl)amino]ethyl]-N-(2-morpholin-4-ylsulfonylethyl)acetamide
CID 89778318
N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide
CID 91476511
2-ethoxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
CID 164557080
molecular hydrogen;2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
CID 170640064
2-propan-2-yloxy-N-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethyl]acetamide
CID 170640065

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one?
The IUPAC name of 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one (CID 71119723) is 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one.
What is the SMILES notation for 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one?
The canonical SMILES for 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one is CCS(=O)(=O)N1CCN(C(=O)COCC(C)=O)CC1.
What is the InChIKey of 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one?
The InChIKey is MDGQTDQFWPSFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-3-19(16,17)13-6-4-12(5-7-13)11(15)9-18-8-10(2)14/h3-9H2,1-2H3.
What are the key properties of 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one?
1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one has a molecular weight of 292.36 g/mol, XLogP of -0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one is sourced from PubChem (CID 71119723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).