ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate

C11H21NO2S — CID 59253246

IUPACethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate
SMILESCCOC(=O)C(C)(C)SC1CCNCC1
InChIInChI=1S/C11H21NO2S/c1-4-14-10(13)11(2,3)15-9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3
InChIKeyUQOWDNFXMDPYKU-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.81
Rot. Bonds4

About ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate

ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate (PubChem CID 59253246) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate
PubChem CID59253246
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate
SMILESCCOC(=O)C(C)(C)SC1CCNCC1
InChIInChI=1S/C11H21NO2S/c1-4-14-10(13)11(2,3)15-9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3
InChIKeyUQOWDNFXMDPYKU-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate?
The IUPAC name of ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate (CID 59253246) is ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate is CCOC(=O)C(C)(C)SC1CCNCC1.
What is the InChIKey of ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate?
The InChIKey is UQOWDNFXMDPYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-14-10(13)11(2,3)15-9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate?
ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate has a molecular weight of 231.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate is sourced from PubChem (CID 59253246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).