5-(thiolan-2-yl)-1,3-oxazolidin-2-one

C7H11NO2S — CID 117158776

IUPAC5-(thiolan-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C2CCCS2)O1
InChIInChI=1S/C7H11NO2S/c9-7-8-4-5(10-7)6-2-1-3-11-6/h5-6H,1-4H2,(H,8,9)
InChIKeyAOTHZLZMZVMOSX-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.99
Rot. Bonds1

About 5-(thiolan-2-yl)-1,3-oxazolidin-2-one

5-(thiolan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 117158776) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-(thiolan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(thiolan-2-yl)-1,3-oxazolidin-2-one
PubChem CID117158776
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name5-(thiolan-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(C2CCCS2)O1
InChIInChI=1S/C7H11NO2S/c9-7-8-4-5(10-7)6-2-1-3-11-6/h5-6H,1-4H2,(H,8,9)
InChIKeyAOTHZLZMZVMOSX-UHFFFAOYSA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(thiolan-2-yl)-1,3-oxazolidin-2-one (CID 117158776) is 5-(thiolan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(thiolan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(thiolan-2-yl)-1,3-oxazolidin-2-one is O=C1NCC(C2CCCS2)O1.
What is the InChIKey of 5-(thiolan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is AOTHZLZMZVMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-7-8-4-5(10-7)6-2-1-3-11-6/h5-6H,1-4H2,(H,8,9).
What are the key properties of 5-(thiolan-2-yl)-1,3-oxazolidin-2-one?
5-(thiolan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 173.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).