4-(4-methoxyphenyl)sulfanylmorpholine

C11H15NO2S — CID 134811476

IUPAC4-(4-methoxyphenyl)sulfanylmorpholine
SMILESCOc1ccc(SN2CCOCC2)cc1
InChIInChI=1S/C11H15NO2S/c1-13-10-2-4-11(5-3-10)15-12-6-8-14-9-7-12/h2-5H,6-9H2,1H3
InChIKeyDIOALAWWBDXYJF-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.03
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfanylmorpholine

4-(4-methoxyphenyl)sulfanylmorpholine (PubChem CID 134811476) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanylmorpholine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanylmorpholine
PubChem CID134811476
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(4-methoxyphenyl)sulfanylmorpholine
SMILESCOc1ccc(SN2CCOCC2)cc1
InChIInChI=1S/C11H15NO2S/c1-13-10-2-4-11(5-3-10)15-12-6-8-14-9-7-12/h2-5H,6-9H2,1H3
InChIKeyDIOALAWWBDXYJF-UHFFFAOYSA-N
XLogP2.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanylmorpholine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanylmorpholine (CID 134811476) is 4-(4-methoxyphenyl)sulfanylmorpholine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanylmorpholine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanylmorpholine is COc1ccc(SN2CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanylmorpholine?
The InChIKey is DIOALAWWBDXYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-13-10-2-4-11(5-3-10)15-12-6-8-14-9-7-12/h2-5H,6-9H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanylmorpholine?
4-(4-methoxyphenyl)sulfanylmorpholine has a molecular weight of 225.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanylmorpholine is sourced from PubChem (CID 134811476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).