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

C14H20N2O5S — CID 71823775

IUPACmethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O
InChIInChI=1S/C14H20N2O5S/c1-11-5-8-16(9-6-11)22(19,20)12-4-3-7-15(14(12)18)10-13(17)21-2/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyYZKYXJFIRZBKMU-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.44
Rot. Bonds4

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

methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate (PubChem CID 71823775) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate
PubChem CID71823775
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Namemethyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O
InChIInChI=1S/C14H20N2O5S/c1-11-5-8-16(9-6-11)22(19,20)12-4-3-7-15(14(12)18)10-13(17)21-2/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyYZKYXJFIRZBKMU-UHFFFAOYSA-N
XLogP0.44
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate (CID 71823775) is methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate is COC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O.
What is the InChIKey of methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate?
The InChIKey is YZKYXJFIRZBKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-11-5-8-16(9-6-11)22(19,20)12-4-3-7-15(14(12)18)10-13(17)21-2/h3-4,7,11H,5-6,8-10H2,1-2H3.
What are the key properties of methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate?
methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate has a molecular weight of 328.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 71823775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).