methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate

C14H19NO6S — CID 972838

IUPACmethyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C14H19NO6S/c1-11-9-12(3-4-13(11)21-10-14(16)19-2)22(17,18)15-5-7-20-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyVHIHMUIEVLBVLE-UHFFFAOYSA-N
MW329.37 g/mol
LogP0.57
Rot. Bonds5

About methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate

methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate (PubChem CID 972838) has the molecular formula C14H19NO6S and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate
PubChem CID972838
Molecular FormulaC14H19NO6S
Molecular Weight329.37 g/mol
Exact Mass329.09
IUPAC Namemethyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C14H19NO6S/c1-11-9-12(3-4-13(11)21-10-14(16)19-2)22(17,18)15-5-7-20-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyVHIHMUIEVLBVLE-UHFFFAOYSA-N
XLogP0.57
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate?
The IUPAC name of methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate (CID 972838) is methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate?
The canonical SMILES for methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate is COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C.
What is the InChIKey of methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate?
The InChIKey is VHIHMUIEVLBVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6S/c1-11-9-12(3-4-13(11)21-10-14(16)19-2)22(17,18)15-5-7-20-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate?
methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate has a molecular weight of 329.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetate is sourced from PubChem (CID 972838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).