ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate

C11H21NO4S — CID 64696599

IUPACethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCCCC1CN
InChIInChI=1S/C11H21NO4S/c1-2-16-11(13)8-17(14,15)10-6-4-3-5-9(10)7-12/h9-10H,2-8,12H2,1H3
InChIKeyOBCWSOOHGRRYLY-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.48
Rot. Bonds5

About ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate

ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate (PubChem CID 64696599) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate
PubChem CID64696599
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCCCC1CN
InChIInChI=1S/C11H21NO4S/c1-2-16-11(13)8-17(14,15)10-6-4-3-5-9(10)7-12/h9-10H,2-8,12H2,1H3
InChIKeyOBCWSOOHGRRYLY-UHFFFAOYSA-N
XLogP0.48
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-aminocyclopentyl)sulfonylacetate
CID 64676176
(2-propylsulfonylcyclohexyl)methanamine
CID 64698833
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
(2-pentylsulfonylcyclohexyl)methanamine
CID 107766733
tert-butyl 2-(2-aminocyclooctyl)sulfonylacetate
CID 116687659
[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine
CID 64697595
ethyl 2-(3-methylcyclohexyl)sulfonylacetate
CID 62720621
[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine
CID 107767198
ethyl 2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylacetate
CID 115312338
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate
CID 116687629
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate?
The IUPAC name of ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate (CID 64696599) is ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate.
What is the SMILES notation for ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate?
The canonical SMILES for ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate is CCOC(=O)CS(=O)(=O)C1CCCCC1CN.
What is the InChIKey of ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate?
The InChIKey is OBCWSOOHGRRYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-16-11(13)8-17(14,15)10-6-4-3-5-9(10)7-12/h9-10H,2-8,12H2,1H3.
What are the key properties of ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate?
ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate has a molecular weight of 263.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate is sourced from PubChem (CID 64696599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).