ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate

C15H22N2O5S — CID 53161840

IUPACethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O
InChIInChI=1S/C15H22N2O5S/c1-3-22-14(18)11-16-8-4-5-13(15(16)19)23(20,21)17-9-6-12(2)7-10-17/h4-5,8,12H,3,6-7,9-11H2,1-2H3
InChIKeyZUENKJWJTFTKQH-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.83
Rot. Bonds5

About ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate (PubChem CID 53161840) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate
PubChem CID53161840
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nameethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O
InChIInChI=1S/C15H22N2O5S/c1-3-22-14(18)11-16-8-4-5-13(15(16)19)23(20,21)17-9-6-12(2)7-10-17/h4-5,8,12H,3,6-7,9-11H2,1-2H3
InChIKeyZUENKJWJTFTKQH-UHFFFAOYSA-N
XLogP0.83
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate (CID 53161840) is ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O.
What is the InChIKey of ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate?
The InChIKey is ZUENKJWJTFTKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-22-14(18)11-16-8-4-5-13(15(16)19)23(20,21)17-9-6-12(2)7-10-17/h4-5,8,12H,3,6-7,9-11H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate has a molecular weight of 342.42 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 53161840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).