ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate

C11H19NO5S — CID 59047392

IUPACethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCC(C(C)=O)CC1
InChIInChI=1S/C11H19NO5S/c1-3-17-11(14)8-18(15,16)12-6-4-10(5-7-12)9(2)13/h10H,3-8H2,1-2H3
InChIKeyABOUZIGJIZNRTO-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.18
Rot. Bonds5

About ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate

ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate (PubChem CID 59047392) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate
PubChem CID59047392
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Nameethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCC(C(C)=O)CC1
InChIInChI=1S/C11H19NO5S/c1-3-17-11(14)8-18(15,16)12-6-4-10(5-7-12)9(2)13/h10H,3-8H2,1-2H3
InChIKeyABOUZIGJIZNRTO-UHFFFAOYSA-N
XLogP0.18
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
Methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
CID 56828082
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
Ethyl 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylate
CID 82898139
Ethyl 2-piperidin-1-ylsulfonylacetate
CID 12744308
1-[(2-Ethoxy-2-oxoethyl)sulfonyl]-4-piperidinecarboxylic acid
CID 17906600
Methyl 2-(3,5-dimethylpiperidin-1-yl)sulfonylacetate
CID 18723286
Ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate
CID 21334237
Ethyl 3-piperidin-1-ylsulfonylpropanoate
CID 33737429
1-(1-Ethylsulfonylpiperidin-4-yl)ethanone
CID 58356085
1-(1-Propan-2-ylsulfonylpiperidin-4-yl)ethanone
CID 58356117
Tert-butyl 1-(2-methoxy-2-oxoethyl)sulfinylpiperidine-4-carboxylate
CID 58898900

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate?
The IUPAC name of ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate (CID 59047392) is ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate?
The canonical SMILES for ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCC(C(C)=O)CC1.
What is the InChIKey of ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate?
The InChIKey is ABOUZIGJIZNRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-3-17-11(14)8-18(15,16)12-6-4-10(5-7-12)9(2)13/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate?
ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate has a molecular weight of 277.34 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetylpiperidin-1-yl)sulfonylacetate is sourced from PubChem (CID 59047392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).