methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate

C12H22N2O6S — CID 115672140

IUPACmethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H22N2O6S/c1-9-6-13(7-10(2)20-9)21(16,17)14-4-5-19-8-11(14)12(15)18-3/h9-11H,4-8H2,1-3H3
InChIKeyYJNDWHGAYWKUGE-UHFFFAOYSA-N
MW322.38 g/mol
LogP-0.79
Rot. Bonds3

About methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate

methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate (PubChem CID 115672140) has the molecular formula C12H22N2O6S and a molecular weight of 322.38 g/mol. Its IUPAC name is methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate
PubChem CID115672140
Molecular FormulaC12H22N2O6S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Namemethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H22N2O6S/c1-9-6-13(7-10(2)20-9)21(16,17)14-4-5-19-8-11(14)12(15)18-3/h9-11H,4-8H2,1-3H3
InChIKeyYJNDWHGAYWKUGE-UHFFFAOYSA-N
XLogP-0.79
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
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 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate?
The IUPAC name of methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate (CID 115672140) is methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate is COC(=O)C1COCCN1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate?
The InChIKey is YJNDWHGAYWKUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6S/c1-9-6-13(7-10(2)20-9)21(16,17)14-4-5-19-8-11(14)12(15)18-3/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate?
methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate has a molecular weight of 322.38 g/mol, XLogP of -0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate is sourced from PubChem (CID 115672140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).