ethyl 2-(2-aminocyclopentyl)sulfonylacetate

C9H17NO4S — CID 64676176

IUPACethyl 2-(2-aminocyclopentyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCCC1N
InChIInChI=1S/C9H17NO4S/c1-2-14-9(11)6-15(12,13)8-5-3-4-7(8)10/h7-8H,2-6,10H2,1H3
InChIKeyFZAMPVHCGBQOCZ-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 2-(2-aminocyclopentyl)sulfonylacetate

ethyl 2-(2-aminocyclopentyl)sulfonylacetate (PubChem CID 64676176) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is ethyl 2-(2-aminocyclopentyl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(2-aminocyclopentyl)sulfonylacetate
PubChem CID64676176
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Nameethyl 2-(2-aminocyclopentyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCCC1N
InChIInChI=1S/C9H17NO4S/c1-2-14-9(11)6-15(12,13)8-5-3-4-7(8)10/h7-8H,2-6,10H2,1H3
InChIKeyFZAMPVHCGBQOCZ-UHFFFAOYSA-N
XLogP-0.16
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate
CID 64696599
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
ethyl 2-(3-methylcyclohexyl)sulfonylacetate
CID 62720621
2-propylsulfonylcyclopentan-1-amine
CID 64646493
methyl 3-(2-aminocycloheptyl)sulfonylpropanoate
CID 64676542
methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate
CID 64674378
methyl 2-(2-amino-3,3-dimethylcyclohexyl)sulfonylacetate
CID 79847225
ethyl 2-(2-cyano-5-propylcyclohexyl)sulfonylacetate
CID 64690402
ethyl 2-propylsulfonylacetate
CID 21245347
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
ethyl 2-sulfamoylacetate;hydrochloride
CID 141070961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminocyclopentyl)sulfonylacetate?
The IUPAC name of ethyl 2-(2-aminocyclopentyl)sulfonylacetate (CID 64676176) is ethyl 2-(2-aminocyclopentyl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(2-aminocyclopentyl)sulfonylacetate?
The canonical SMILES for ethyl 2-(2-aminocyclopentyl)sulfonylacetate is CCOC(=O)CS(=O)(=O)C1CCCC1N.
What is the InChIKey of ethyl 2-(2-aminocyclopentyl)sulfonylacetate?
The InChIKey is FZAMPVHCGBQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-14-9(11)6-15(12,13)8-5-3-4-7(8)10/h7-8H,2-6,10H2,1H3.
What are the key properties of ethyl 2-(2-aminocyclopentyl)sulfonylacetate?
ethyl 2-(2-aminocyclopentyl)sulfonylacetate has a molecular weight of 235.30 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminocyclopentyl)sulfonylacetate is sourced from PubChem (CID 64676176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).