6-ethyl-5-hydroxythiomorpholin-2-one

C6H11NO2S — CID 142235038

IUPAC6-ethyl-5-hydroxythiomorpholin-2-one
SMILESCCC1SC(=O)CNC1O
InChIInChI=1S/C6H11NO2S/c1-2-4-6(9)7-3-5(8)10-4/h4,6-7,9H,2-3H2,1H3
InChIKeyLXOCDRTUVHYXAA-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.05
Rot. Bonds1

About 6-ethyl-5-hydroxythiomorpholin-2-one

6-ethyl-5-hydroxythiomorpholin-2-one (PubChem CID 142235038) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 6-ethyl-5-hydroxythiomorpholin-2-one.

Molecular Properties

Compound Name6-ethyl-5-hydroxythiomorpholin-2-one
PubChem CID142235038
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name6-ethyl-5-hydroxythiomorpholin-2-one
SMILESCCC1SC(=O)CNC1O
InChIInChI=1S/C6H11NO2S/c1-2-4-6(9)7-3-5(8)10-4/h4,6-7,9H,2-3H2,1H3
InChIKeyLXOCDRTUVHYXAA-UHFFFAOYSA-N
XLogP-0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-ethyl-3-hydroxycyclopropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-hydroxythiomorpholin-2-one?
The IUPAC name of 6-ethyl-5-hydroxythiomorpholin-2-one (CID 142235038) is 6-ethyl-5-hydroxythiomorpholin-2-one.
What is the SMILES notation for 6-ethyl-5-hydroxythiomorpholin-2-one?
The canonical SMILES for 6-ethyl-5-hydroxythiomorpholin-2-one is CCC1SC(=O)CNC1O.
What is the InChIKey of 6-ethyl-5-hydroxythiomorpholin-2-one?
The InChIKey is LXOCDRTUVHYXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-2-4-6(9)7-3-5(8)10-4/h4,6-7,9H,2-3H2,1H3.
What are the key properties of 6-ethyl-5-hydroxythiomorpholin-2-one?
6-ethyl-5-hydroxythiomorpholin-2-one has a molecular weight of 161.23 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-hydroxythiomorpholin-2-one is sourced from PubChem (CID 142235038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).