morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione

C15H20N2O2S — CID 893573

IUPACmorpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione
SMILESS=C(c1ccc(N2CCOCC2)cc1)N1CCOCC1
InChIInChI=1S/C15H20N2O2S/c20-15(17-7-11-19-12-8-17)13-1-3-14(4-2-13)16-5-9-18-10-6-16/h1-4H,5-12H2
InChIKeyJOYAJPCOFDFIRL-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.53
Rot. Bonds2

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

morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione (PubChem CID 893573) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione.

Molecular Properties

Compound Namemorpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione
PubChem CID893573
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Namemorpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione
SMILESS=C(c1ccc(N2CCOCC2)cc1)N1CCOCC1
InChIInChI=1S/C15H20N2O2S/c20-15(17-7-11-19-12-8-17)13-1-3-14(4-2-13)16-5-9-18-10-6-16/h1-4H,5-12H2
InChIKeyJOYAJPCOFDFIRL-UHFFFAOYSA-N
XLogP1.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione?
The IUPAC name of morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione (CID 893573) is morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione.
What is the SMILES notation for morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione?
The canonical SMILES for morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione is S=C(c1ccc(N2CCOCC2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione?
The InChIKey is JOYAJPCOFDFIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c20-15(17-7-11-19-12-8-17)13-1-3-14(4-2-13)16-5-9-18-10-6-16/h1-4H,5-12H2.
What are the key properties of morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione?
morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione has a molecular weight of 292.40 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-morpholin-4-ylphenyl)methanethione is sourced from PubChem (CID 893573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).