ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate

C11H16N2O4S — CID 114599518

IUPACethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(C)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H16N2O4S/c1-4-17-10(14)8-13(2)11-9(18(3,15)16)6-5-7-12-11/h5-7H,4,8H2,1-3H3
InChIKeyZXGKQXLAEFIQTB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.48
Rot. Bonds5

About ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate

ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate (PubChem CID 114599518) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
PubChem CID114599518
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(C)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H16N2O4S/c1-4-17-10(14)8-13(2)11-9(18(3,15)16)6-5-7-12-11/h5-7H,4,8H2,1-3H3
InChIKeyZXGKQXLAEFIQTB-UHFFFAOYSA-N
XLogP0.48
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
CID 62006591
ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate
CID 113371239
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
CID 141212885
ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
CID 66327197
ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62007153
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
CID 61045378
ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate
CID 62005398
ethyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3288655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate (CID 114599518) is ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate is CCOC(=O)CN(C)c1ncccc1S(C)(=O)=O.
What is the InChIKey of ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate?
The InChIKey is ZXGKQXLAEFIQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-4-17-10(14)8-13(2)11-9(18(3,15)16)6-5-7-12-11/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate?
ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate has a molecular weight of 272.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate is sourced from PubChem (CID 114599518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).