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

C15H24ClNO2S — CID 2995588

IUPAC4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride
SMILESCc1ccc(SCCOCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23NO2S.ClH/c1-14-2-4-15(5-3-14)19-13-12-18-11-8-16-6-9-17-10-7-16;/h2-5H,6-13H2,1H3;1H
InChIKeyWEDWTNSVCXHBRN-UHFFFAOYSA-N
MW317.88 g/mol
LogP2.86
Rot. Bonds7

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

4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride (PubChem CID 2995588) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride
PubChem CID2995588
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride
SMILESCc1ccc(SCCOCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23NO2S.ClH/c1-14-2-4-15(5-3-14)19-13-12-18-11-8-16-6-9-17-10-7-16;/h2-5H,6-13H2,1H3;1H
InChIKeyWEDWTNSVCXHBRN-UHFFFAOYSA-N
XLogP2.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 52.86
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 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride (CID 2995588) is 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride is Cc1ccc(SCCOCCN2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride?
The InChIKey is WEDWTNSVCXHBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S.ClH/c1-14-2-4-15(5-3-14)19-13-12-18-11-8-16-6-9-17-10-7-16;/h2-5H,6-13H2,1H3;1H.
What are the key properties of 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride?
4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride has a molecular weight of 317.88 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 2995588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).