5-methyl-3-thiomorpholin-4-yloxolan-2-one

C9H15NO2S — CID 130660513

IUPAC5-methyl-3-thiomorpholin-4-yloxolan-2-one
SMILESCC1CC(N2CCSCC2)C(=O)O1
InChIInChI=1S/C9H15NO2S/c1-7-6-8(9(11)12-7)10-2-4-13-5-3-10/h7-8H,2-6H2,1H3
InChIKeyJSEJLAQIHXFRAA-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.74
Rot. Bonds1

About 5-methyl-3-thiomorpholin-4-yloxolan-2-one

5-methyl-3-thiomorpholin-4-yloxolan-2-one (PubChem CID 130660513) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-methyl-3-thiomorpholin-4-yloxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-thiomorpholin-4-yloxolan-2-one
PubChem CID130660513
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name5-methyl-3-thiomorpholin-4-yloxolan-2-one
SMILESCC1CC(N2CCSCC2)C(=O)O1
InChIInChI=1S/C9H15NO2S/c1-7-6-8(9(11)12-7)10-2-4-13-5-3-10/h7-8H,2-6H2,1H3
InChIKeyJSEJLAQIHXFRAA-UHFFFAOYSA-N
XLogP0.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiomorpholin-4-yloxolan-2-one?
The IUPAC name of 5-methyl-3-thiomorpholin-4-yloxolan-2-one (CID 130660513) is 5-methyl-3-thiomorpholin-4-yloxolan-2-one.
What is the SMILES notation for 5-methyl-3-thiomorpholin-4-yloxolan-2-one?
The canonical SMILES for 5-methyl-3-thiomorpholin-4-yloxolan-2-one is CC1CC(N2CCSCC2)C(=O)O1.
What is the InChIKey of 5-methyl-3-thiomorpholin-4-yloxolan-2-one?
The InChIKey is JSEJLAQIHXFRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7-6-8(9(11)12-7)10-2-4-13-5-3-10/h7-8H,2-6H2,1H3.
What are the key properties of 5-methyl-3-thiomorpholin-4-yloxolan-2-one?
5-methyl-3-thiomorpholin-4-yloxolan-2-one has a molecular weight of 201.29 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiomorpholin-4-yloxolan-2-one is sourced from PubChem (CID 130660513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).