4-(2-methoxyethyl)-3-phenylthiomorpholine

C13H19NOS — CID 56791335

IUPAC4-(2-methoxyethyl)-3-phenylthiomorpholine
SMILESCOCCN1CCSCC1c1ccccc1
InChIInChI=1S/C13H19NOS/c1-15-9-7-14-8-10-16-11-13(14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyYBAGUEKTTIRFST-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.42
Rot. Bonds4

About 4-(2-methoxyethyl)-3-phenylthiomorpholine

4-(2-methoxyethyl)-3-phenylthiomorpholine (PubChem CID 56791335) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-phenylthiomorpholine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-phenylthiomorpholine
PubChem CID56791335
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-(2-methoxyethyl)-3-phenylthiomorpholine
SMILESCOCCN1CCSCC1c1ccccc1
InChIInChI=1S/C13H19NOS/c1-15-9-7-14-8-10-16-11-13(14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyYBAGUEKTTIRFST-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-phenylthiomorpholine?
The IUPAC name of 4-(2-methoxyethyl)-3-phenylthiomorpholine (CID 56791335) is 4-(2-methoxyethyl)-3-phenylthiomorpholine.
What is the SMILES notation for 4-(2-methoxyethyl)-3-phenylthiomorpholine?
The canonical SMILES for 4-(2-methoxyethyl)-3-phenylthiomorpholine is COCCN1CCSCC1c1ccccc1.
What is the InChIKey of 4-(2-methoxyethyl)-3-phenylthiomorpholine?
The InChIKey is YBAGUEKTTIRFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-9-7-14-8-10-16-11-13(14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-3-phenylthiomorpholine?
4-(2-methoxyethyl)-3-phenylthiomorpholine has a molecular weight of 237.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-phenylthiomorpholine is sourced from PubChem (CID 56791335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).