2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine

C23H24N2OS — CID 76566166

IUPAC2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine
SMILESc1ccc(Cc2cccnc2SC(c2ccccc2)C2CNCCO2)cc1
InChIInChI=1S/C23H24N2OS/c1-3-8-18(9-4-1)16-20-12-7-13-25-23(20)27-22(19-10-5-2-6-11-19)21-17-24-14-15-26-21/h1-13,21-22,24H,14-17H2
InChIKeyBUCUHWIXUBCMLW-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.49
Rot. Bonds6

About 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine

2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine (PubChem CID 76566166) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine.

Molecular Properties

Compound Name2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine
PubChem CID76566166
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine
SMILESc1ccc(Cc2cccnc2SC(c2ccccc2)C2CNCCO2)cc1
InChIInChI=1S/C23H24N2OS/c1-3-8-18(9-4-1)16-20-12-7-13-25-23(20)27-22(19-10-5-2-6-11-19)21-17-24-14-15-26-21/h1-13,21-22,24H,14-17H2
InChIKeyBUCUHWIXUBCMLW-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine?
The IUPAC name of 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine (CID 76566166) is 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine.
What is the SMILES notation for 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine?
The canonical SMILES for 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine is c1ccc(Cc2cccnc2SC(c2ccccc2)C2CNCCO2)cc1.
What is the InChIKey of 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine?
The InChIKey is BUCUHWIXUBCMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-3-8-18(9-4-1)16-20-12-7-13-25-23(20)27-22(19-10-5-2-6-11-19)21-17-24-14-15-26-21/h1-13,21-22,24H,14-17H2.
What are the key properties of 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine?
2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine has a molecular weight of 376.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-2-pyridinyl)sulfanyl-phenylmethyl]morpholine is sourced from PubChem (CID 76566166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).