5-ethyl-2-methylmorpholine-3-thione

C7H13NOS — CID 3052687

IUPAC5-ethyl-2-methylmorpholine-3-thione
SMILESCCC1COC(C)C(=S)N1
InChIInChI=1S/C7H13NOS/c1-3-6-4-9-5(2)7(10)8-6/h5-6H,3-4H2,1-2H3,(H,8,10)
InChIKeyFONPVIOTSBSQMC-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.10
Rot. Bonds1

About 5-ethyl-2-methylmorpholine-3-thione

5-ethyl-2-methylmorpholine-3-thione (PubChem CID 3052687) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 5-ethyl-2-methylmorpholine-3-thione.

Molecular Properties

Compound Name5-ethyl-2-methylmorpholine-3-thione
PubChem CID3052687
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name5-ethyl-2-methylmorpholine-3-thione
SMILESCCC1COC(C)C(=S)N1
InChIInChI=1S/C7H13NOS/c1-3-6-4-9-5(2)7(10)8-6/h5-6H,3-4H2,1-2H3,(H,8,10)
InChIKeyFONPVIOTSBSQMC-UHFFFAOYSA-N
XLogP1.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylmorpholine-3-thione?
The IUPAC name of 5-ethyl-2-methylmorpholine-3-thione (CID 3052687) is 5-ethyl-2-methylmorpholine-3-thione.
What is the SMILES notation for 5-ethyl-2-methylmorpholine-3-thione?
The canonical SMILES for 5-ethyl-2-methylmorpholine-3-thione is CCC1COC(C)C(=S)N1.
What is the InChIKey of 5-ethyl-2-methylmorpholine-3-thione?
The InChIKey is FONPVIOTSBSQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-3-6-4-9-5(2)7(10)8-6/h5-6H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 5-ethyl-2-methylmorpholine-3-thione?
5-ethyl-2-methylmorpholine-3-thione has a molecular weight of 159.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylmorpholine-3-thione is sourced from PubChem (CID 3052687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).