morpholin-4-yl-(4-phenylphenyl)methanethione

C17H17NOS — CID 2193280

IUPACmorpholin-4-yl-(4-phenylphenyl)methanethione
SMILESS=C(c1ccc(-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C17H17NOS/c20-17(18-10-12-19-13-11-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyUFOJHOBTUJFOEG-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.36
Rot. Bonds2

About morpholin-4-yl-(4-phenylphenyl)methanethione

morpholin-4-yl-(4-phenylphenyl)methanethione (PubChem CID 2193280) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is morpholin-4-yl-(4-phenylphenyl)methanethione.

Molecular Properties

Compound Namemorpholin-4-yl-(4-phenylphenyl)methanethione
PubChem CID2193280
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Namemorpholin-4-yl-(4-phenylphenyl)methanethione
SMILESS=C(c1ccc(-c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C17H17NOS/c20-17(18-10-12-19-13-11-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyUFOJHOBTUJFOEG-UHFFFAOYSA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze morpholin-4-yl-(4-phenylphenyl)methanethione 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 morpholin-4-yl-(4-phenylphenyl)methanethione?
The IUPAC name of morpholin-4-yl-(4-phenylphenyl)methanethione (CID 2193280) is morpholin-4-yl-(4-phenylphenyl)methanethione.
What is the SMILES notation for morpholin-4-yl-(4-phenylphenyl)methanethione?
The canonical SMILES for morpholin-4-yl-(4-phenylphenyl)methanethione is S=C(c1ccc(-c2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(4-phenylphenyl)methanethione?
The InChIKey is UFOJHOBTUJFOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c20-17(18-10-12-19-13-11-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of morpholin-4-yl-(4-phenylphenyl)methanethione?
morpholin-4-yl-(4-phenylphenyl)methanethione has a molecular weight of 283.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-phenylphenyl)methanethione is sourced from PubChem (CID 2193280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).