4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine

C13H19NO4S — CID 3050842

IUPAC4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine
SMILESCOc1ccc(S(=O)(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C13H19NO4S/c1-17-12-2-4-13(5-3-12)19(15,16)11-8-14-6-9-18-10-7-14/h2-5H,6-11H2,1H3
InChIKeyMWHFZRUGWLQHGY-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.80
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine

4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine (PubChem CID 3050842) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine
PubChem CID3050842
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine
SMILESCOc1ccc(S(=O)(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C13H19NO4S/c1-17-12-2-4-13(5-3-12)19(15,16)11-8-14-6-9-18-10-7-14/h2-5H,6-11H2,1H3
InChIKeyMWHFZRUGWLQHGY-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine?
The IUPAC name of 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine (CID 3050842) is 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine is COc1ccc(S(=O)(=O)CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine?
The InChIKey is MWHFZRUGWLQHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-17-12-2-4-13(5-3-12)19(15,16)11-8-14-6-9-18-10-7-14/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine?
4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine has a molecular weight of 285.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine is sourced from PubChem (CID 3050842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).