2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone

C12H22N2O2S — CID 70869769

IUPAC2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone
SMILESCC1(C)CN(CC(=O)N2CCSCC2)CCO1
InChIInChI=1S/C12H22N2O2S/c1-12(2)10-13(3-6-16-12)9-11(15)14-4-7-17-8-5-14/h3-10H2,1-2H3
InChIKeyIASZBNQDMZSCIA-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.67
Rot. Bonds2

About 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone

2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone (PubChem CID 70869769) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone
PubChem CID70869769
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone
SMILESCC1(C)CN(CC(=O)N2CCSCC2)CCO1
InChIInChI=1S/C12H22N2O2S/c1-12(2)10-13(3-6-16-12)9-11(15)14-4-7-17-8-5-14/h3-10H2,1-2H3
InChIKeyIASZBNQDMZSCIA-UHFFFAOYSA-N
XLogP0.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone 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-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone (CID 70869769) is 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone is CC1(C)CN(CC(=O)N2CCSCC2)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone?
The InChIKey is IASZBNQDMZSCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-12(2)10-13(3-6-16-12)9-11(15)14-4-7-17-8-5-14/h3-10H2,1-2H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone?
2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone has a molecular weight of 258.39 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 70869769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).