ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate

C12H24N2O4S — CID 81456891

IUPACethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)N1CCC(N)C(CC)C1
InChIInChI=1S/C12H24N2O4S/c1-3-10-9-14(7-5-11(10)13)19(16,17)8-6-12(15)18-4-2/h10-11H,3-9,13H2,1-2H3
InChIKeyZRPVVJNDYHAHCP-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.33
Rot. Bonds6

About ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate

ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate (PubChem CID 81456891) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate
PubChem CID81456891
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nameethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)N1CCC(N)C(CC)C1
InChIInChI=1S/C12H24N2O4S/c1-3-10-9-14(7-5-11(10)13)19(16,17)8-6-12(15)18-4-2/h10-11H,3-9,13H2,1-2H3
InChIKeyZRPVVJNDYHAHCP-UHFFFAOYSA-N
XLogP0.33
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
CID 81457446
2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid
CID 81457674
ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
CID 62917298
2-[1-(3-ethoxy-3-oxopropyl)sulfonylpiperidin-2-yl]acetic acid
CID 61459168
1-(3-ethoxy-3-oxopropyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070056
ethyl 3-[4-(cyanomethyl)piperazin-1-yl]sulfonylpropanoate
CID 55201189
ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate
CID 115304847
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
methyl 3-(3-aminoazetidin-1-yl)sulfonylpropanoate
CID 65244767
ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
CID 114779075

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate?
The IUPAC name of ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate (CID 81456891) is ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate.
What is the SMILES notation for ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate?
The canonical SMILES for ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate is CCOC(=O)CCS(=O)(=O)N1CCC(N)C(CC)C1.
What is the InChIKey of ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate?
The InChIKey is ZRPVVJNDYHAHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-10-9-14(7-5-11(10)13)19(16,17)8-6-12(15)18-4-2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate?
ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate has a molecular weight of 292.40 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate is sourced from PubChem (CID 81456891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).