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

C₄H₉NO₄S — CID 146234371

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

[(5S)-1,3-oxazolidin-5-yl] methanesulfonate (PubChem CID 146234371) has the molecular formula C₄H₉NO₄S and a molecular weight of 167.19 g/mol. Its IUPAC name is [(5S)-1,3-oxazolidin-5-yl] methanesulfonate.

Molecular Properties

• Compound Name: [(5S)-1,3-oxazolidin-5-yl] methanesulfonate
• PubChem CID: 146234371
• Molecular Formula: C₄H₉NO₄S
• Molecular Weight: 167.19 g/mol
• Exact Mass: 167.03
• IUPAC Name: [(5S)-1,3-oxazolidin-5-yl] methanesulfonate
• SMILES: CS(=O)(=O)O[C@H]1CNCO1
• InChI: InChI=1S/C4H9NO4S/c1-10(6,7)9-4-2-5-3-8-4/h4-5H,2-3H2,1H3/t4-/m0/s1
• InChIKey: YWFPMKIXUYOKBV-BYPYZUCNSA-N
• XLogP: -1.13
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.19
LogP ≤ 5	-1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5S)-1,3-oxazolidin-5-yl] methanesulfonate?

The IUPAC name of [(5S)-1,3-oxazolidin-5-yl] methanesulfonate (CID 146234371) is [(5S)-1,3-oxazolidin-5-yl] methanesulfonate.

What is the SMILES notation for [(5S)-1,3-oxazolidin-5-yl] methanesulfonate?

The canonical SMILES for [(5S)-1,3-oxazolidin-5-yl] methanesulfonate is CS(=O)(=O)O[C@H]1CNCO1.

What is the InChIKey of [(5S)-1,3-oxazolidin-5-yl] methanesulfonate?

The InChIKey is YWFPMKIXUYOKBV-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9NO4S/c1-10(6,7)9-4-2-5-3-8-4/h4-5H,2-3H2,1H3/t4-/m0/s1.

What are the key properties of [(5S)-1,3-oxazolidin-5-yl] methanesulfonate?

[(5S)-1,3-oxazolidin-5-yl] methanesulfonate has a molecular weight of 167.19 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-1,3-oxazolidin-5-yl] methanesulfonate is sourced from PubChem (CID 146234371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146234371 — identifiers, structure, computed properties (public domain)

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