methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate

C12H20N2O5S — CID 43407611

IUPACmethyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C12H20N2O5S/c1-13(7-12(17)18-2)10(15)8-20-9-11(16)14-3-5-19-6-4-14/h3-9H2,1-2H3
InChIKeyYYOITSODARZZSS-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.79
Rot. Bonds6

About methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate

methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate (PubChem CID 43407611) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate
PubChem CID43407611
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Namemethyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C12H20N2O5S/c1-13(7-12(17)18-2)10(15)8-20-9-11(16)14-3-5-19-6-4-14/h3-9H2,1-2H3
InChIKeyYYOITSODARZZSS-UHFFFAOYSA-N
XLogP-0.79
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate (CID 43407611) is methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate is COC(=O)CN(C)C(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate?
The InChIKey is YYOITSODARZZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-13(7-12(17)18-2)10(15)8-20-9-11(16)14-3-5-19-6-4-14/h3-9H2,1-2H3.
What are the key properties of methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate?
methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate has a molecular weight of 304.37 g/mol, XLogP of -0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate is sourced from PubChem (CID 43407611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).