ethyl 2-cyclopropylsulfonylacetate

C7H12O4S — CID 56604727

IUPACethyl 2-cyclopropylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CC1
InChIInChI=1S/C7H12O4S/c1-2-11-7(8)5-12(9,10)6-3-4-6/h6H,2-5H2,1H3
InChIKeyYJVKOQHVBGXGFF-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.13
Rot. Bonds4

About ethyl 2-cyclopropylsulfonylacetate

ethyl 2-cyclopropylsulfonylacetate (PubChem CID 56604727) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is ethyl 2-cyclopropylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-cyclopropylsulfonylacetate
PubChem CID56604727
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Nameethyl 2-cyclopropylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CC1
InChIInChI=1S/C7H12O4S/c1-2-11-7(8)5-12(9,10)6-3-4-6/h6H,2-5H2,1H3
InChIKeyYJVKOQHVBGXGFF-UHFFFAOYSA-N
XLogP0.13
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
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ethyl 2-(2-aminocyclopentyl)sulfonylacetate
CID 64676176
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate
CID 64696599
ethyl 2-sulfamoylacetate;hydrochloride
CID 141070961
bicyclo[2.2.1]heptane;ethane;2-ethoxy-2-oxoethanesulfonate
CID 91589235
methyl 2-(3-aminocyclopentyl)sulfonylacetate
CID 64722434
tert-butyl 2-cyclopentylsulfonylacetate
CID 73425315
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)sulfonylacetate
CID 106672320
ethyl 2-propylsulfonylacetate
CID 21245347
ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
CID 62917298

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropylsulfonylacetate?
The IUPAC name of ethyl 2-cyclopropylsulfonylacetate (CID 56604727) is ethyl 2-cyclopropylsulfonylacetate.
What is the SMILES notation for ethyl 2-cyclopropylsulfonylacetate?
The canonical SMILES for ethyl 2-cyclopropylsulfonylacetate is CCOC(=O)CS(=O)(=O)C1CC1.
What is the InChIKey of ethyl 2-cyclopropylsulfonylacetate?
The InChIKey is YJVKOQHVBGXGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-2-11-7(8)5-12(9,10)6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of ethyl 2-cyclopropylsulfonylacetate?
ethyl 2-cyclopropylsulfonylacetate has a molecular weight of 192.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropylsulfonylacetate is sourced from PubChem (CID 56604727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).