4-(2-ethylsulfanylethyl)-2-methylmorpholine

C9H19NOS — CID 139913675

IUPAC4-(2-ethylsulfanylethyl)-2-methylmorpholine
SMILESCCSCCN1CCOC(C)C1
InChIInChI=1S/C9H19NOS/c1-3-12-7-5-10-4-6-11-9(2)8-10/h9H,3-8H2,1-2H3
InChIKeyNNRAGEWKZABOAQ-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.46
Rot. Bonds4

About 4-(2-ethylsulfanylethyl)-2-methylmorpholine

4-(2-ethylsulfanylethyl)-2-methylmorpholine (PubChem CID 139913675) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-(2-ethylsulfanylethyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(2-ethylsulfanylethyl)-2-methylmorpholine
PubChem CID139913675
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-(2-ethylsulfanylethyl)-2-methylmorpholine
SMILESCCSCCN1CCOC(C)C1
InChIInChI=1S/C9H19NOS/c1-3-12-7-5-10-4-6-11-9(2)8-10/h9H,3-8H2,1-2H3
InChIKeyNNRAGEWKZABOAQ-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylethyl)-2-methylmorpholine?
The IUPAC name of 4-(2-ethylsulfanylethyl)-2-methylmorpholine (CID 139913675) is 4-(2-ethylsulfanylethyl)-2-methylmorpholine.
What is the SMILES notation for 4-(2-ethylsulfanylethyl)-2-methylmorpholine?
The canonical SMILES for 4-(2-ethylsulfanylethyl)-2-methylmorpholine is CCSCCN1CCOC(C)C1.
What is the InChIKey of 4-(2-ethylsulfanylethyl)-2-methylmorpholine?
The InChIKey is NNRAGEWKZABOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-12-7-5-10-4-6-11-9(2)8-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-(2-ethylsulfanylethyl)-2-methylmorpholine?
4-(2-ethylsulfanylethyl)-2-methylmorpholine has a molecular weight of 189.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylethyl)-2-methylmorpholine is sourced from PubChem (CID 139913675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).