ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate

C11H21NO3S — CID 59634224

IUPACethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCCCC1
InChIInChI=1S/C11H21NO3S/c1-4-15-10(13)11(2,3)16(14)12-8-6-5-7-9-12/h4-9H2,1-3H3
InChIKeyCQHXETKBQGIGOS-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.48
Rot. Bonds4

About ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate

ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate (PubChem CID 59634224) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate
PubChem CID59634224
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCCCC1
InChIInChI=1S/C11H21NO3S/c1-4-15-10(13)11(2,3)16(14)12-8-6-5-7-9-12/h4-9H2,1-3H3
InChIKeyCQHXETKBQGIGOS-UHFFFAOYSA-N
XLogP1.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoate
CID 59634283
Ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate
CID 59634335
Ethyl 2-piperidin-1-ylsulfonylacetate
CID 12744308
Methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate
CID 18673774
Ethyl 3-piperidin-1-ylsulfonylpropanoate
CID 33737429
Ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate
CID 59634179
Ethyl 2-[butyl(methyl)sulfinamoyl]-2-methylpropanoate
CID 59634193
Ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate
CID 59634241
Ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate
CID 59634245
Ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate
CID 59634321
Ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate
CID 59634333
Ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfanylpropanoate
CID 143803351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate?
The IUPAC name of ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate (CID 59634224) is ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate is CCOC(=O)C(C)(C)S(=O)N1CCCCC1.
What is the InChIKey of ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate?
The InChIKey is CQHXETKBQGIGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-4-15-10(13)11(2,3)16(14)12-8-6-5-7-9-12/h4-9H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate?
ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate has a molecular weight of 247.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate is sourced from PubChem (CID 59634224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).