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

C14H21NO2S — CID 2993678

IUPAC4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine
SMILESc1ccc(SCCOCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-2-4-14(5-3-1)18-13-12-17-11-8-15-6-9-16-10-7-15/h1-5H,6-13H2
InChIKeyPMOSQKDGKLGPDT-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.13
Rot. Bonds7

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

4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine (PubChem CID 2993678) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine
PubChem CID2993678
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine
SMILESc1ccc(SCCOCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-2-4-14(5-3-1)18-13-12-17-11-8-15-6-9-16-10-7-15/h1-5H,6-13H2
InChIKeyPMOSQKDGKLGPDT-UHFFFAOYSA-N
XLogP2.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.13
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
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
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-(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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine (CID 2993678) is 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine is c1ccc(SCCOCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine?
The InChIKey is PMOSQKDGKLGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-4-14(5-3-1)18-13-12-17-11-8-15-6-9-16-10-7-15/h1-5H,6-13H2.
What are the key properties of 4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine?
4-[2-(2-phenylsulfanylethoxy)ethyl]morpholine has a molecular weight of 267.39 g/mol, XLogP of 2.13, 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 is sourced from PubChem (CID 2993678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).