2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride

C17H28ClNO2S — CID 2992992

IUPAC2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride
SMILESCc1ccc(SCCOCCN2CC(C)OC(C)C2)cc1.Cl
InChIInChI=1S/C17H27NO2S.ClH/c1-14-4-6-17(7-5-14)21-11-10-19-9-8-18-12-15(2)20-16(3)13-18;/h4-7,15-16H,8-13H2,1-3H3;1H
InChIKeyJPUMIDWPDOVXDB-UHFFFAOYSA-N
MW345.94 g/mol
LogP3.63
Rot. Bonds7

About 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride

2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride (PubChem CID 2992992) has the molecular formula C17H28ClNO2S and a molecular weight of 345.94 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride
PubChem CID2992992
Molecular FormulaC17H28ClNO2S
Molecular Weight345.94 g/mol
Exact Mass345.15
IUPAC Name2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride
SMILESCc1ccc(SCCOCCN2CC(C)OC(C)C2)cc1.Cl
InChIInChI=1S/C17H27NO2S.ClH/c1-14-4-6-17(7-5-14)21-11-10-19-9-8-18-12-15(2)20-16(3)13-18;/h4-7,15-16H,8-13H2,1-3H3;1H
InChIKeyJPUMIDWPDOVXDB-UHFFFAOYSA-N
XLogP3.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride (CID 2992992) is 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride is Cc1ccc(SCCOCCN2CC(C)OC(C)C2)cc1.Cl.
What is the InChIKey of 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride?
The InChIKey is JPUMIDWPDOVXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S.ClH/c1-14-4-6-17(7-5-14)21-11-10-19-9-8-18-12-15(2)20-16(3)13-18;/h4-7,15-16H,8-13H2,1-3H3;1H.
What are the key properties of 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride?
2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride has a molecular weight of 345.94 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 2992992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).