3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide

C15H22N2OS — CID 62779115

IUPAC3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide
SMILESCC1CN(C(CC(N)=S)c2ccccc2)CC(C)O1
InChIInChI=1S/C15H22N2OS/c1-11-9-17(10-12(2)18-11)14(8-15(16)19)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H2,16,19)
InChIKeyHNLPBMZELNPHKB-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.51
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide

3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide (PubChem CID 62779115) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide
PubChem CID62779115
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide
SMILESCC1CN(C(CC(N)=S)c2ccccc2)CC(C)O1
InChIInChI=1S/C15H22N2OS/c1-11-9-17(10-12(2)18-11)14(8-15(16)19)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H2,16,19)
InChIKeyHNLPBMZELNPHKB-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile
CID 62780582
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 112625605
3-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropanethioamide
CID 62780102
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 102958108
3-(4-methyl-1,4-diazepan-1-yl)-3-phenylpropanethioamide
CID 62778289
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 114797720
3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 62780124
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
CID 104958196
3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpropanethioamide
CID 55117593

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide (CID 62779115) is 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide is CC1CN(C(CC(N)=S)c2ccccc2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide?
The InChIKey is HNLPBMZELNPHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-9-17(10-12(2)18-11)14(8-15(16)19)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H2,16,19).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide?
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide has a molecular weight of 278.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide is sourced from PubChem (CID 62779115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).