6-(thiolan-2-ylmethyl)morpholin-3-one

C9H15NO2S — CID 117159101

IUPAC6-(thiolan-2-ylmethyl)morpholin-3-one
SMILESO=C1COC(CC2CCCS2)CN1
InChIInChI=1S/C9H15NO2S/c11-9-6-12-7(5-10-9)4-8-2-1-3-13-8/h7-8H,1-6H2,(H,10,11)
InChIKeyVTOZUEZTYJAZAN-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.79
Rot. Bonds2

About 6-(thiolan-2-ylmethyl)morpholin-3-one

6-(thiolan-2-ylmethyl)morpholin-3-one (PubChem CID 117159101) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 6-(thiolan-2-ylmethyl)morpholin-3-one.

Molecular Properties

Compound Name6-(thiolan-2-ylmethyl)morpholin-3-one
PubChem CID117159101
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name6-(thiolan-2-ylmethyl)morpholin-3-one
SMILESO=C1COC(CC2CCCS2)CN1
InChIInChI=1S/C9H15NO2S/c11-9-6-12-7(5-10-9)4-8-2-1-3-13-8/h7-8H,1-6H2,(H,10,11)
InChIKeyVTOZUEZTYJAZAN-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(thiolan-2-ylmethyl)morpholin-3-one?
The IUPAC name of 6-(thiolan-2-ylmethyl)morpholin-3-one (CID 117159101) is 6-(thiolan-2-ylmethyl)morpholin-3-one.
What is the SMILES notation for 6-(thiolan-2-ylmethyl)morpholin-3-one?
The canonical SMILES for 6-(thiolan-2-ylmethyl)morpholin-3-one is O=C1COC(CC2CCCS2)CN1.
What is the InChIKey of 6-(thiolan-2-ylmethyl)morpholin-3-one?
The InChIKey is VTOZUEZTYJAZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-9-6-12-7(5-10-9)4-8-2-1-3-13-8/h7-8H,1-6H2,(H,10,11).
What are the key properties of 6-(thiolan-2-ylmethyl)morpholin-3-one?
6-(thiolan-2-ylmethyl)morpholin-3-one has a molecular weight of 201.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiolan-2-ylmethyl)morpholin-3-one is sourced from PubChem (CID 117159101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).