4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine

C24H25NOS — CID 66654478

IUPAC4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine
SMILESCc1ccccc1Sc1ccc(C2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C24H25NOS/c1-19-7-5-6-10-24(19)27-22-13-11-21(12-14-22)23-18-25(15-16-26-23)17-20-8-3-2-4-9-20/h2-14,23H,15-18H2,1H3
InChIKeyOUDWQKYJFADODM-UHFFFAOYSA-N
MW375.54 g/mol
LogP5.72
Rot. Bonds5

About 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine

4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine (PubChem CID 66654478) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine.

Molecular Properties

Compound Name4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine
PubChem CID66654478
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine
SMILESCc1ccccc1Sc1ccc(C2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C24H25NOS/c1-19-7-5-6-10-24(19)27-22-13-11-21(12-14-22)23-18-25(15-16-26-23)17-20-8-3-2-4-9-20/h2-14,23H,15-18H2,1H3
InChIKeyOUDWQKYJFADODM-UHFFFAOYSA-N
XLogP5.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine?
The IUPAC name of 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine (CID 66654478) is 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine.
What is the SMILES notation for 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine?
The canonical SMILES for 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine is Cc1ccccc1Sc1ccc(C2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine?
The InChIKey is OUDWQKYJFADODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c1-19-7-5-6-10-24(19)27-22-13-11-21(12-14-22)23-18-25(15-16-26-23)17-20-8-3-2-4-9-20/h2-14,23H,15-18H2,1H3.
What are the key properties of 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine?
4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine has a molecular weight of 375.54 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine is sourced from PubChem (CID 66654478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).