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

C14H22ClNO2S — CID 2993677

IUPAC4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride
SMILESCl.c1ccc(SCCOCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NO2S.ClH/c1-2-4-14(5-3-1)18-13-12-17-11-8-15-6-9-16-10-7-15;/h1-5H,6-13H2;1H
InChIKeyQZDMSEDVMWRRSZ-UHFFFAOYSA-N
MW303.85 g/mol
LogP2.55
Rot. Bonds7

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

4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride (PubChem CID 2993677) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride
PubChem CID2993677
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC Name4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride
SMILESCl.c1ccc(SCCOCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NO2S.ClH/c1-2-4-14(5-3-1)18-13-12-17-11-8-15-6-9-16-10-7-15;/h1-5H,6-13H2;1H
InChIKeyQZDMSEDVMWRRSZ-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 52.55
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
Phenyl morpholine-4-carbodithioate
CID 12560105
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
2-[4-(2-Phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride
CID 6603494
2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
2,6-Dimethyl-4-[4-(phenylthio)butyl]morpholine hydrochloride
CID 2993382
4-(2-{2-[(4-Methylphenyl)thio]ethoxy}ethyl)morpholine hydrochloride
CID 2995588
4-{4-[(4-Methylphenyl)thio]butyl}morpholine hydrochloride
CID 2996334
2-[(4-Fluorophenyl)sulfinyl]-1-(4-morpholinyl)ethanone
CID 3347399

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride (CID 2993677) is 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride is Cl.c1ccc(SCCOCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride?
The InChIKey is QZDMSEDVMWRRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S.ClH/c1-2-4-14(5-3-1)18-13-12-17-11-8-15-6-9-16-10-7-15;/h1-5H,6-13H2;1H.
What are the key properties of 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride?
4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride has a molecular weight of 303.85 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine;hydrochloride is sourced from PubChem (CID 2993677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).