[(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate

C8H15NO8S2 — CID 25214127

IUPAC[(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OCC1O[C@@H](COS(C)(=O)=O)CNC1=O
InChIInChI=1S/C8H15NO8S2/c1-18(11,12)15-4-6-3-9-8(10)7(17-6)5-16-19(2,13)14/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?/m1/s1
InChIKeyOUJQVZJCPJRBNH-ULUSZKPHSA-N
MW317.34 g/mol
LogP-2.18
Rot. Bonds6

About [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate

[(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate (PubChem CID 25214127) has the molecular formula C8H15NO8S2 and a molecular weight of 317.34 g/mol. Its IUPAC name is [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate
PubChem CID25214127
Molecular FormulaC8H15NO8S2
Molecular Weight317.34 g/mol
Exact Mass317.02
IUPAC Name[(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OCC1O[C@@H](COS(C)(=O)=O)CNC1=O
InChIInChI=1S/C8H15NO8S2/c1-18(11,12)15-4-6-3-9-8(10)7(17-6)5-16-19(2,13)14/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?/m1/s1
InChIKeyOUJQVZJCPJRBNH-ULUSZKPHSA-N
XLogP-2.18
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-2.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate (CID 25214127) is [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate is CS(=O)(=O)OCC1O[C@@H](COS(C)(=O)=O)CNC1=O.
What is the InChIKey of [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate?
The InChIKey is OUJQVZJCPJRBNH-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H15NO8S2/c1-18(11,12)15-4-6-3-9-8(10)7(17-6)5-16-19(2,13)14/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?/m1/s1.
What are the key properties of [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate?
[(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate has a molecular weight of 317.34 g/mol, XLogP of -2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-(methylsulfonyloxymethyl)-5-oxomorpholin-2-yl]methyl methanesulfonate is sourced from PubChem (CID 25214127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).