methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate

C9H15NO7S — CID 78996026

IUPACmethyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate
SMILESCOC(=O)CS(=O)(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C9H15NO7S/c1-15-8(11)6-18(13,14)10-3-4-17-7(5-10)9(12)16-2/h7H,3-6H2,1-2H3
InChIKeyWBDRKRZQQJWLGD-UHFFFAOYSA-N
MW281.29 g/mol
LogP-1.64
Rot. Bonds4

About methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate

methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate (PubChem CID 78996026) has the molecular formula C9H15NO7S and a molecular weight of 281.29 g/mol. Its IUPAC name is methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate
PubChem CID78996026
Molecular FormulaC9H15NO7S
Molecular Weight281.29 g/mol
Exact Mass281.06
IUPAC Namemethyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate
SMILESCOC(=O)CS(=O)(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C9H15NO7S/c1-15-8(11)6-18(13,14)10-3-4-17-7(5-10)9(12)16-2/h7H,3-6H2,1-2H3
InChIKeyWBDRKRZQQJWLGD-UHFFFAOYSA-N
XLogP-1.64
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate (CID 78996026) is methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate is COC(=O)CS(=O)(=O)N1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate?
The InChIKey is WBDRKRZQQJWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO7S/c1-15-8(11)6-18(13,14)10-3-4-17-7(5-10)9(12)16-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate?
methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate has a molecular weight of 281.29 g/mol, XLogP of -1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate is sourced from PubChem (CID 78996026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).