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

C16H26ClNO2S — CID 2992886

IUPAC2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride
SMILESCC1CN(CCOCCSc2ccccc2)CC(C)O1.Cl
InChIInChI=1S/C16H25NO2S.ClH/c1-14-12-17(13-15(2)19-14)8-9-18-10-11-20-16-6-4-3-5-7-16;/h3-7,14-15H,8-13H2,1-2H3;1H
InChIKeyOJIBEMMWNIVEMY-UHFFFAOYSA-N
MW331.91 g/mol
LogP3.33
Rot. Bonds7

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

2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride (PubChem CID 2992886) has the molecular formula C16H26ClNO2S and a molecular weight of 331.91 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride
PubChem CID2992886
Molecular FormulaC16H26ClNO2S
Molecular Weight331.91 g/mol
Exact Mass331.14
IUPAC Name2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride
SMILESCC1CN(CCOCCSc2ccccc2)CC(C)O1.Cl
InChIInChI=1S/C16H25NO2S.ClH/c1-14-12-17(13-15(2)19-14)8-9-18-10-11-20-16-6-4-3-5-7-16;/h3-7,14-15H,8-13H2,1-2H3;1H
InChIKeyOJIBEMMWNIVEMY-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 53.33
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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Related Compounds

4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
Phenylthioacetic acid, morpholide
CID 532039
2,6-Dimethyl-4-(2-{2-[(4-methylphenyl)thio]ethoxy}ethyl)morpholine hydrochloride
CID 2992992
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
2,6-Dimethyl-4-[4-(phenylthio)butyl]morpholine hydrochloride
CID 2993382
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
4-(2-{2-[(4-Methylphenyl)thio]ethoxy}ethyl)morpholine hydrochloride
CID 2995588
4-{4-[(4-Methylphenyl)thio]butyl}morpholine hydrochloride
CID 2996334
1-(2,6-Dimethylmorpholin-4-yl)-3-(phenylsulfonyl)propan-1-one
CID 3163454
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
CID 37284

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride (CID 2992886) is 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride is CC1CN(CCOCCSc2ccccc2)CC(C)O1.Cl.
What is the InChIKey of 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride?
The InChIKey is OJIBEMMWNIVEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S.ClH/c1-14-12-17(13-15(2)19-14)8-9-18-10-11-20-16-6-4-3-5-7-16;/h3-7,14-15H,8-13H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride?
2,6-dimethyl-4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride has a molecular weight of 331.91 g/mol, XLogP of 3.33, 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-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride is sourced from PubChem (CID 2992886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).