1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one

C19H19NO2S — CID 175242327

IUPAC1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one
SMILESCc1c(C2CNCC(C)O2)ccc2sc3ccccc3c(=O)c12
InChIInChI=1S/C19H19NO2S/c1-11-9-20-10-15(22-11)13-7-8-17-18(12(13)2)19(21)14-5-3-4-6-16(14)23-17/h3-8,11,15,20H,9-10H2,1-2H3
InChIKeyVOZXCXAZAOATDJ-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.77
Rot. Bonds1

About 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one

1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one (PubChem CID 175242327) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one.

Molecular Properties

Compound Name1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one
PubChem CID175242327
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one
SMILESCc1c(C2CNCC(C)O2)ccc2sc3ccccc3c(=O)c12
InChIInChI=1S/C19H19NO2S/c1-11-9-20-10-15(22-11)13-7-8-17-18(12(13)2)19(21)14-5-3-4-6-16(14)23-17/h3-8,11,15,20H,9-10H2,1-2H3
InChIKeyVOZXCXAZAOATDJ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one 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 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one?
The IUPAC name of 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one (CID 175242327) is 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one.
What is the SMILES notation for 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one?
The canonical SMILES for 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one is Cc1c(C2CNCC(C)O2)ccc2sc3ccccc3c(=O)c12.
What is the InChIKey of 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one?
The InChIKey is VOZXCXAZAOATDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-11-9-20-10-15(22-11)13-7-8-17-18(12(13)2)19(21)14-5-3-4-6-16(14)23-17/h3-8,11,15,20H,9-10H2,1-2H3.
What are the key properties of 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one?
1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one has a molecular weight of 325.43 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(6-methylmorpholin-2-yl)thioxanthen-9-one is sourced from PubChem (CID 175242327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).