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

C13H20ClNO4S — CID 3050841

IUPAC4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C13H19NO4S.ClH/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;1H
InChIKeyLZYYZLBADGNYOI-UHFFFAOYSA-N
MW321.83 g/mol
LogP1.22
Rot. Bonds5

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

4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride (PubChem CID 3050841) has the molecular formula C13H20ClNO4S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride
PubChem CID3050841
Molecular FormulaC13H20ClNO4S
Molecular Weight321.83 g/mol
Exact Mass321.08
IUPAC Name4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C13H19NO4S.ClH/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;1H
InChIKeyLZYYZLBADGNYOI-UHFFFAOYSA-N
XLogP1.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 51.22
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;hydrochloride?
The IUPAC name of 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride (CID 3050841) is 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride is COc1ccc(S(=O)(=O)CCN2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride?
The InChIKey is LZYYZLBADGNYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S.ClH/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;1H.
What are the key properties of 4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride?
4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 1.22, 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;hydrochloride is sourced from PubChem (CID 3050841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).