4-[(2-phenylsulfanylphenyl)methyl]morpholine

C17H19NOS — CID 1224279

IUPAC4-[(2-phenylsulfanylphenyl)methyl]morpholine
SMILESc1ccc(Sc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C17H19NOS/c1-2-7-16(8-3-1)20-17-9-5-4-6-15(17)14-18-10-12-19-13-11-18/h1-9H,10-14H2
InChIKeyTWTGVZQLGHMHAG-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.67
Rot. Bonds4

About 4-[(2-phenylsulfanylphenyl)methyl]morpholine

4-[(2-phenylsulfanylphenyl)methyl]morpholine (PubChem CID 1224279) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[(2-phenylsulfanylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-phenylsulfanylphenyl)methyl]morpholine
PubChem CID1224279
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name4-[(2-phenylsulfanylphenyl)methyl]morpholine
SMILESc1ccc(Sc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C17H19NOS/c1-2-7-16(8-3-1)20-17-9-5-4-6-15(17)14-18-10-12-19-13-11-18/h1-9H,10-14H2
InChIKeyTWTGVZQLGHMHAG-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylsulfanylphenyl)methyl]morpholine?
The IUPAC name of 4-[(2-phenylsulfanylphenyl)methyl]morpholine (CID 1224279) is 4-[(2-phenylsulfanylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(2-phenylsulfanylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(2-phenylsulfanylphenyl)methyl]morpholine is c1ccc(Sc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[(2-phenylsulfanylphenyl)methyl]morpholine?
The InChIKey is TWTGVZQLGHMHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-7-16(8-3-1)20-17-9-5-4-6-15(17)14-18-10-12-19-13-11-18/h1-9H,10-14H2.
What are the key properties of 4-[(2-phenylsulfanylphenyl)methyl]morpholine?
4-[(2-phenylsulfanylphenyl)methyl]morpholine has a molecular weight of 285.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylsulfanylphenyl)methyl]morpholine is sourced from PubChem (CID 1224279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).