[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

C6H11NO5S — CID 59735300

IUPAC[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCN1C[C@@H](COS(C)(=O)=O)OC1=O
InChIInChI=1S/C6H11NO5S/c1-7-3-5(12-6(7)8)4-11-13(2,9)10/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyVMAJSAOBXUBPQH-YFKPBYRVSA-N
MW209.22 g/mol
LogP-0.59
Rot. Bonds3

About [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate (PubChem CID 59735300) has the molecular formula C6H11NO5S and a molecular weight of 209.22 g/mol. Its IUPAC name is [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
PubChem CID59735300
Molecular FormulaC6H11NO5S
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCN1C[C@@H](COS(C)(=O)=O)OC1=O
InChIInChI=1S/C6H11NO5S/c1-7-3-5(12-6(7)8)4-11-13(2,9)10/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyVMAJSAOBXUBPQH-YFKPBYRVSA-N
XLogP-0.59
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The IUPAC name of [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate (CID 59735300) is [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate.
What is the SMILES notation for [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The canonical SMILES for [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate is CN1C[C@@H](COS(C)(=O)=O)OC1=O.
What is the InChIKey of [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The InChIKey is VMAJSAOBXUBPQH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO5S/c1-7-3-5(12-6(7)8)4-11-13(2,9)10/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate has a molecular weight of 209.22 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate is sourced from PubChem (CID 59735300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).