N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide

C11H18F3N3O2S — CID 66422455

IUPACN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C11H18F3N3O2S/c1-17(5-9(18)16-7-11(12,13)14)10(19)4-8-6-20-3-2-15-8/h8,15H,2-7H2,1H3,(H,16,18)
InChIKeyGBSQUGCHQJSYPM-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.22
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422455) has the molecular formula C11H18F3N3O2S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422455
Molecular FormulaC11H18F3N3O2S
Molecular Weight313.35 g/mol
Exact Mass313.11
IUPAC NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C11H18F3N3O2S/c1-17(5-9(18)16-7-11(12,13)14)10(19)4-8-6-20-3-2-15-8/h8,15H,2-7H2,1H3,(H,16,18)
InChIKeyGBSQUGCHQJSYPM-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide (CID 66422455) is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide is CN(CC(=O)NCC(F)(F)F)C(=O)CC1CSCCN1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is GBSQUGCHQJSYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S/c1-17(5-9(18)16-7-11(12,13)14)10(19)4-8-6-20-3-2-15-8/h8,15H,2-7H2,1H3,(H,16,18).
What are the key properties of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide?
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 313.35 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).