2-[(4-ethylsulfonylphenoxy)methyl]morpholine

C13H19NO4S — CID 114469326

IUPAC2-[(4-ethylsulfonylphenoxy)methyl]morpholine
SMILESCCS(=O)(=O)c1ccc(OCC2CNCCO2)cc1
InChIInChI=1S/C13H19NO4S/c1-2-19(15,16)13-5-3-11(4-6-13)18-10-12-9-14-7-8-17-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyCMQPAXRZDAEVLS-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.85
Rot. Bonds5

About 2-[(4-ethylsulfonylphenoxy)methyl]morpholine

2-[(4-ethylsulfonylphenoxy)methyl]morpholine (PubChem CID 114469326) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-[(4-ethylsulfonylphenoxy)methyl]morpholine.

Molecular Properties

Compound Name2-[(4-ethylsulfonylphenoxy)methyl]morpholine
PubChem CID114469326
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-[(4-ethylsulfonylphenoxy)methyl]morpholine
SMILESCCS(=O)(=O)c1ccc(OCC2CNCCO2)cc1
InChIInChI=1S/C13H19NO4S/c1-2-19(15,16)13-5-3-11(4-6-13)18-10-12-9-14-7-8-17-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyCMQPAXRZDAEVLS-UHFFFAOYSA-N
XLogP0.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylsulfonylphenoxy)methyl]morpholine?
The IUPAC name of 2-[(4-ethylsulfonylphenoxy)methyl]morpholine (CID 114469326) is 2-[(4-ethylsulfonylphenoxy)methyl]morpholine.
What is the SMILES notation for 2-[(4-ethylsulfonylphenoxy)methyl]morpholine?
The canonical SMILES for 2-[(4-ethylsulfonylphenoxy)methyl]morpholine is CCS(=O)(=O)c1ccc(OCC2CNCCO2)cc1.
What is the InChIKey of 2-[(4-ethylsulfonylphenoxy)methyl]morpholine?
The InChIKey is CMQPAXRZDAEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-19(15,16)13-5-3-11(4-6-13)18-10-12-9-14-7-8-17-12/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of 2-[(4-ethylsulfonylphenoxy)methyl]morpholine?
2-[(4-ethylsulfonylphenoxy)methyl]morpholine has a molecular weight of 285.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylsulfonylphenoxy)methyl]morpholine is sourced from PubChem (CID 114469326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).