N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide

C14H18N2O2S — CID 2908732

IUPACN-(2,6-dimethylmorpholine-4-carbothioyl)benzamide
SMILESCC1CN(C(=S)NC(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C14H18N2O2S/c1-10-8-16(9-11(2)18-10)14(19)15-13(17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,19)
InChIKeyCPWDRGYZLFDKIL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.81
Rot. Bonds1

About N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide

N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide (PubChem CID 2908732) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylmorpholine-4-carbothioyl)benzamide
PubChem CID2908732
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2,6-dimethylmorpholine-4-carbothioyl)benzamide
SMILESCC1CN(C(=S)NC(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C14H18N2O2S/c1-10-8-16(9-11(2)18-10)14(19)15-13(17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,19)
InChIKeyCPWDRGYZLFDKIL-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide 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 N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide?
The IUPAC name of N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide (CID 2908732) is N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide?
The canonical SMILES for N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide is CC1CN(C(=S)NC(=O)c2ccccc2)CC(C)O1.
What is the InChIKey of N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide?
The InChIKey is CPWDRGYZLFDKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-8-16(9-11(2)18-10)14(19)15-13(17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,19).
What are the key properties of N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide?
N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide has a molecular weight of 278.38 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide is sourced from PubChem (CID 2908732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).