(2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate

C5H9NO5S — CID 23039942

IUPAC(2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate
SMILESCS(=O)(=O)OCN1CCOC1=O
InChIInChI=1S/C5H9NO5S/c1-12(8,9)11-4-6-2-3-10-5(6)7/h2-4H2,1H3
InChIKeyAZXGOMUOOFZFJA-UHFFFAOYSA-N
MW195.20 g/mol
LogP-0.63
Rot. Bonds3

About (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate

(2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate (PubChem CID 23039942) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate.

Molecular Properties

Compound Name(2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate
PubChem CID23039942
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Name(2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate
SMILESCS(=O)(=O)OCN1CCOC1=O
InChIInChI=1S/C5H9NO5S/c1-12(8,9)11-4-6-2-3-10-5(6)7/h2-4H2,1H3
InChIKeyAZXGOMUOOFZFJA-UHFFFAOYSA-N
XLogP-0.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.63
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 (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate?
The IUPAC name of (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate (CID 23039942) is (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate.
What is the SMILES notation for (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate?
The canonical SMILES for (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate is CS(=O)(=O)OCN1CCOC1=O.
What is the InChIKey of (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate?
The InChIKey is AZXGOMUOOFZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5S/c1-12(8,9)11-4-6-2-3-10-5(6)7/h2-4H2,1H3.
What are the key properties of (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate?
(2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate has a molecular weight of 195.20 g/mol, XLogP of -0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate is sourced from PubChem (CID 23039942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).