2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one

C13H15NO3S — CID 139228182

IUPAC2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one
SMILESO=C1CSC(c2ccc(N3CCOCC3)cc2)O1
InChIInChI=1S/C13H15NO3S/c15-12-9-18-13(17-12)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4,13H,5-9H2
InChIKeyOONSWHAEBDCPCI-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one

2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one (PubChem CID 139228182) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one
PubChem CID139228182
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one
SMILESO=C1CSC(c2ccc(N3CCOCC3)cc2)O1
InChIInChI=1S/C13H15NO3S/c15-12-9-18-13(17-12)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4,13H,5-9H2
InChIKeyOONSWHAEBDCPCI-UHFFFAOYSA-N
XLogP1.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one (CID 139228182) is 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one is O=C1CSC(c2ccc(N3CCOCC3)cc2)O1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one?
The InChIKey is OONSWHAEBDCPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-12-9-18-13(17-12)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4,13H,5-9H2.
What are the key properties of 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one?
2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one has a molecular weight of 265.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one is sourced from PubChem (CID 139228182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).