4-(2-methylsulfanylethynyl)morpholine

C7H11NOS — CID 134875965

IUPAC4-(2-methylsulfanylethynyl)morpholine
SMILESCSC#CN1CCOCC1
InChIInChI=1S/C7H11NOS/c1-10-7-4-8-2-5-9-6-3-8/h2-3,5-6H2,1H3
InChIKeyUQGDDKKUAMSOFN-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.60
Rot. Bonds

About 4-(2-methylsulfanylethynyl)morpholine

4-(2-methylsulfanylethynyl)morpholine (PubChem CID 134875965) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-(2-methylsulfanylethynyl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfanylethynyl)morpholine
PubChem CID134875965
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name4-(2-methylsulfanylethynyl)morpholine
SMILESCSC#CN1CCOCC1
InChIInChI=1S/C7H11NOS/c1-10-7-4-8-2-5-9-6-3-8/h2-3,5-6H2,1H3
InChIKeyUQGDDKKUAMSOFN-UHFFFAOYSA-N
XLogP0.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylethynyl)morpholine?
The IUPAC name of 4-(2-methylsulfanylethynyl)morpholine (CID 134875965) is 4-(2-methylsulfanylethynyl)morpholine.
What is the SMILES notation for 4-(2-methylsulfanylethynyl)morpholine?
The canonical SMILES for 4-(2-methylsulfanylethynyl)morpholine is CSC#CN1CCOCC1.
What is the InChIKey of 4-(2-methylsulfanylethynyl)morpholine?
The InChIKey is UQGDDKKUAMSOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-10-7-4-8-2-5-9-6-3-8/h2-3,5-6H2,1H3.
What are the key properties of 4-(2-methylsulfanylethynyl)morpholine?
4-(2-methylsulfanylethynyl)morpholine has a molecular weight of 157.24 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylethynyl)morpholine is sourced from PubChem (CID 134875965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).