ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate

C12H23NO4S — CID 59634179

IUPACethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCC(OC)CC1
InChIInChI=1S/C12H23NO4S/c1-5-17-11(14)12(2,3)18(15)13-8-6-10(16-4)7-9-13/h10H,5-9H2,1-4H3
InChIKeyKQJRHKHWSRHTGF-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate

ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate (PubChem CID 59634179) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate
PubChem CID59634179
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCC(OC)CC1
InChIInChI=1S/C12H23NO4S/c1-5-17-11(14)12(2,3)18(15)13-8-6-10(16-4)7-9-13/h10H,5-9H2,1-4H3
InChIKeyKQJRHKHWSRHTGF-UHFFFAOYSA-N
XLogP1.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate
CID 59634335
Methyl 2-methyl-2-[4-(trifluoromethylsulfonyloxy)piperidin-1-yl]sulfonylpropanoate
CID 140451228
Methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate
CID 18673774
Ethyl 3-piperidin-1-ylsulfonylpropanoate
CID 33737429
(1-Methylsulfonylpiperidin-4-yl) acetate
CID 57863344
Ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate
CID 59634224
Ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate
CID 59634241
Ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate
CID 59634245
2-(4-Methoxypiperidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 59634291
Ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate
CID 59634321
Ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate
CID 59634333
2-(4-Methoxypiperidin-1-yl)sulfinyl-2-methylpropanoic acid
CID 143803375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate?
The IUPAC name of ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate (CID 59634179) is ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate is CCOC(=O)C(C)(C)S(=O)N1CCC(OC)CC1.
What is the InChIKey of ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate?
The InChIKey is KQJRHKHWSRHTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-5-17-11(14)12(2,3)18(15)13-8-6-10(16-4)7-9-13/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate?
ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate has a molecular weight of 277.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate is sourced from PubChem (CID 59634179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).