2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate

C6H11NO4S2 — CID 72707556

IUPAC2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCC[C@@H]1CNC(=S)O1
InChIInChI=1S/C6H11NO4S2/c1-13(8,9)10-3-2-5-4-7-6(12)11-5/h5H,2-4H2,1H3,(H,7,12)/t5-/m1/s1
InChIKeyBGBMBXAFBQVUSX-RXMQYKEDSA-N
MW225.29 g/mol
LogP-0.37
Rot. Bonds4

About 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate

2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate (PubChem CID 72707556) has the molecular formula C6H11NO4S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate
PubChem CID72707556
Molecular FormulaC6H11NO4S2
Molecular Weight225.29 g/mol
Exact Mass225.01
IUPAC Name2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCC[C@@H]1CNC(=S)O1
InChIInChI=1S/C6H11NO4S2/c1-13(8,9)10-3-2-5-4-7-6(12)11-5/h5H,2-4H2,1H3,(H,7,12)/t5-/m1/s1
InChIKeyBGBMBXAFBQVUSX-RXMQYKEDSA-N
XLogP-0.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate?
The IUPAC name of 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate (CID 72707556) is 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate.
What is the SMILES notation for 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate?
The canonical SMILES for 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate is CS(=O)(=O)OCC[C@@H]1CNC(=S)O1.
What is the InChIKey of 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate?
The InChIKey is BGBMBXAFBQVUSX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO4S2/c1-13(8,9)10-3-2-5-4-7-6(12)11-5/h5H,2-4H2,1H3,(H,7,12)/t5-/m1/s1.
What are the key properties of 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate?
2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate has a molecular weight of 225.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-sulfanylidene-1,3-oxazolidin-5-yl]ethyl methanesulfonate is sourced from PubChem (CID 72707556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).