4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine

C12H18N2OS — CID 110176808

IUPAC4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine
SMILESc1cc(CSCCN2CCOCC2)ccn1
InChIInChI=1S/C12H18N2OS/c1-3-13-4-2-12(1)11-16-10-7-14-5-8-15-9-6-14/h1-4H,5-11H2
InChIKeyZAFJDAIXTMHMNP-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.65
Rot. Bonds5

About 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine

4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine (PubChem CID 110176808) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine
PubChem CID110176808
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine
SMILESc1cc(CSCCN2CCOCC2)ccn1
InChIInChI=1S/C12H18N2OS/c1-3-13-4-2-12(1)11-16-10-7-14-5-8-15-9-6-14/h1-4H,5-11H2
InChIKeyZAFJDAIXTMHMNP-UHFFFAOYSA-N
XLogP1.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.65
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-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine?
The IUPAC name of 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine (CID 110176808) is 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine is c1cc(CSCCN2CCOCC2)ccn1.
What is the InChIKey of 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine?
The InChIKey is ZAFJDAIXTMHMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-13-4-2-12(1)11-16-10-7-14-5-8-15-9-6-14/h1-4H,5-11H2.
What are the key properties of 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine?
4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine has a molecular weight of 238.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine is sourced from PubChem (CID 110176808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).