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

C15H23NO2S — CID 2995589

IUPAC4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine
SMILESCc1ccc(SCCOCCN2CCOCC2)cc1
InChIInChI=1S/C15H23NO2S/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
InChIKeyRHTPJYYYBXGIRN-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.44
Rot. Bonds7

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

4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine (PubChem CID 2995589) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine
PubChem CID2995589
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine
SMILESCc1ccc(SCCOCCN2CCOCC2)cc1
InChIInChI=1S/C15H23NO2S/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
InChIKeyRHTPJYYYBXGIRN-UHFFFAOYSA-N
XLogP2.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.44
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?
The IUPAC name of 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine (CID 2995589) is 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine is Cc1ccc(SCCOCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine?
The InChIKey is RHTPJYYYBXGIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/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.
What are the key properties of 4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine?
4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]morpholine has a molecular weight of 281.42 g/mol, XLogP of 2.44, 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 is sourced from PubChem (CID 2995589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).