ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate

C11H21NO4S — CID 134086046

IUPACethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)C1CCC(N)CC1
InChIInChI=1S/C11H21NO4S/c1-2-16-11(13)7-8-17(14,15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3
InChIKeyXABVDKZYLSVHBH-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.62
Rot. Bonds5

About ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate

ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate (PubChem CID 134086046) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
PubChem CID134086046
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nameethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)C1CCC(N)CC1
InChIInChI=1S/C11H21NO4S/c1-2-16-11(13)7-8-17(14,15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3
InChIKeyXABVDKZYLSVHBH-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 3-(4-aminocyclohexyl)sulfanylpropanoate
CID 134086081
ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
CID 61459369
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353
cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride
CID 160592906
prop-2-ynyl 3-cyclopentylsulfonylpropanoate
CID 60562931
4-ethoxy-4-oxobutane-1-sulfonic acid
CID 87764562
tert-butyl 3-cyclohexylsulfonylpropanoate
CID 116662463
ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate
CID 81456891
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate?
The IUPAC name of ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate (CID 134086046) is ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate.
What is the SMILES notation for ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate?
The canonical SMILES for ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate is CCOC(=O)CCS(=O)(=O)C1CCC(N)CC1.
What is the InChIKey of ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate?
The InChIKey is XABVDKZYLSVHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-16-11(13)7-8-17(14,15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3.
What are the key properties of ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate?
ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate has a molecular weight of 263.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate is sourced from PubChem (CID 134086046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).