2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine

C11H22N2S — CID 103070738

IUPAC2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CN1CC(C)SC(C)C1
InChIInChI=1S/C11H22N2S/c1-9(5-12-4)6-13-7-10(2)14-11(3)8-13/h10-12H,1,5-8H2,2-4H3
InChIKeyFVMSGUUBKPCXDR-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds4

About 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine

2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine (PubChem CID 103070738) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine
PubChem CID103070738
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CN1CC(C)SC(C)C1
InChIInChI=1S/C11H22N2S/c1-9(5-12-4)6-13-7-10(2)14-11(3)8-13/h10-12H,1,5-8H2,2-4H3
InChIKeyFVMSGUUBKPCXDR-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine 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 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine (CID 103070738) is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine is C=C(CNC)CN1CC(C)SC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is FVMSGUUBKPCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(5-12-4)6-13-7-10(2)14-11(3)8-13/h10-12H,1,5-8H2,2-4H3.
What are the key properties of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine?
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103070738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).