4-[(4-phenylphenyl)methyl]thiomorpholine

C17H19NS — CID 792663

IUPAC4-[(4-phenylphenyl)methyl]thiomorpholine
SMILESc1ccc(-c2ccc(CN3CCSCC3)cc2)cc1
InChIInChI=1S/C17H19NS/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)14-18-10-12-19-13-11-18/h1-9H,10-14H2
InChIKeyGONVYAOQFZRFPH-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.90
Rot. Bonds3

About 4-[(4-phenylphenyl)methyl]thiomorpholine

4-[(4-phenylphenyl)methyl]thiomorpholine (PubChem CID 792663) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[(4-phenylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-phenylphenyl)methyl]thiomorpholine
PubChem CID792663
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name4-[(4-phenylphenyl)methyl]thiomorpholine
SMILESc1ccc(-c2ccc(CN3CCSCC3)cc2)cc1
InChIInChI=1S/C17H19NS/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)14-18-10-12-19-13-11-18/h1-9H,10-14H2
InChIKeyGONVYAOQFZRFPH-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-phenylphenyl)methyl]thiomorpholine (CID 792663) is 4-[(4-phenylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-phenylphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-phenylphenyl)methyl]thiomorpholine is c1ccc(-c2ccc(CN3CCSCC3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylphenyl)methyl]thiomorpholine?
The InChIKey is GONVYAOQFZRFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)14-18-10-12-19-13-11-18/h1-9H,10-14H2.
What are the key properties of 4-[(4-phenylphenyl)methyl]thiomorpholine?
4-[(4-phenylphenyl)methyl]thiomorpholine has a molecular weight of 269.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 792663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).