2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate

C13H19NO4S — CID 22934161

IUPAC2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19NO4S/c1-19(15,16)18-9-6-12-2-4-13(5-3-12)14-7-10-17-11-8-14/h2-5H,6-11H2,1H3
InChIKeyYUZVJSIQKNEMGJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.04
Rot. Bonds5

About 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate

2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate (PubChem CID 22934161) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate
PubChem CID22934161
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19NO4S/c1-19(15,16)18-9-6-12-2-4-13(5-3-12)14-7-10-17-11-8-14/h2-5H,6-11H2,1H3
InChIKeyYUZVJSIQKNEMGJ-UHFFFAOYSA-N
XLogP1.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate (CID 22934161) is 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate is CS(=O)(=O)OCCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate?
The InChIKey is YUZVJSIQKNEMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-19(15,16)18-9-6-12-2-4-13(5-3-12)14-7-10-17-11-8-14/h2-5H,6-11H2,1H3.
What are the key properties of 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate?
2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate has a molecular weight of 285.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate is sourced from PubChem (CID 22934161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).