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

C13H20ClNO3S — CID 3050843

IUPAC4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride
SMILESCc1ccc(S(=O)(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C13H19NO3S.ClH/c1-12-2-4-13(5-3-12)18(15,16)11-8-14-6-9-17-10-7-14;/h2-5H,6-11H2,1H3;1H
InChIKeyQCLZHRDDSSSWHK-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.52
Rot. Bonds4

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

4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride (PubChem CID 3050843) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride
PubChem CID3050843
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride
SMILESCc1ccc(S(=O)(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C13H19NO3S.ClH/c1-12-2-4-13(5-3-12)18(15,16)11-8-14-6-9-17-10-7-14;/h2-5H,6-11H2,1H3;1H
InChIKeyQCLZHRDDSSSWHK-UHFFFAOYSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride (CID 3050843) is 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride is Cc1ccc(S(=O)(=O)CCN2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride?
The InChIKey is QCLZHRDDSSSWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S.ClH/c1-12-2-4-13(5-3-12)18(15,16)11-8-14-6-9-17-10-7-14;/h2-5H,6-11H2,1H3;1H.
What are the key properties of 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride?
4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)sulfonylethyl]morpholine;hydrochloride is sourced from PubChem (CID 3050843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).