ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride

C11H22ClNO2S — CID 67122979

IUPACethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)SC1CCNCC1.Cl
InChIInChI=1S/C11H21NO2S.ClH/c1-4-14-10(13)11(2,3)15-9-5-7-12-8-6-9;/h9,12H,4-8H2,1-3H3;1H
InChIKeyRIBSRCLYGSUFCS-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.24
Rot. Bonds4

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

ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride (PubChem CID 67122979) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride
PubChem CID67122979
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Nameethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)SC1CCNCC1.Cl
InChIInChI=1S/C11H21NO2S.ClH/c1-4-14-10(13)11(2,3)15-9-5-7-12-8-6-9;/h9,12H,4-8H2,1-3H3;1H
InChIKeyRIBSRCLYGSUFCS-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.24
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;hydrochloride?
The IUPAC name of ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride (CID 67122979) is ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride is CCOC(=O)C(C)(C)SC1CCNCC1.Cl.
What is the InChIKey of ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride?
The InChIKey is RIBSRCLYGSUFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S.ClH/c1-4-14-10(13)11(2,3)15-9-5-7-12-8-6-9;/h9,12H,4-8H2,1-3H3;1H.
What are the key properties of ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride?
ethyl 2-methyl-2-piperidin-4-ylsulfanylpropanoate;hydrochloride has a molecular weight of 267.82 g/mol, XLogP of 2.24, 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;hydrochloride is sourced from PubChem (CID 67122979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).