N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide

C11H20F2N2O2S — CID 119938513

IUPACN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide
SMILESCOCCN(CC(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C11H20F2N2O2S/c1-17-4-3-15(7-10(12)13)11(16)6-9-8-18-5-2-14-9/h9-10,14H,2-8H2,1H3
InChIKeyMOFDMMUTNMRODS-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.82
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide

N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119938513) has the molecular formula C11H20F2N2O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119938513
Molecular FormulaC11H20F2N2O2S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC NameN-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide
SMILESCOCCN(CC(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C11H20F2N2O2S/c1-17-4-3-15(7-10(12)13)11(16)6-9-8-18-5-2-14-9/h9-10,14H,2-8H2,1H3
InChIKeyMOFDMMUTNMRODS-UHFFFAOYSA-N
XLogP0.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide 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-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide (CID 119938513) is N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide is COCCN(CC(F)F)C(=O)CC1CSCCN1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is MOFDMMUTNMRODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2S/c1-17-4-3-15(7-10(12)13)11(16)6-9-8-18-5-2-14-9/h9-10,14H,2-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide?
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 282.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).