N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide

C8H13F3N2OS — CID 82908360

IUPACN-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1CSCCN1
InChIInChI=1S/C8H13F3N2OS/c1-13(5-8(9,10)11)7(14)6-4-15-3-2-12-6/h6,12H,2-5H2,1H3
InChIKeyFRMMPZAHOWBVAU-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.71
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide

N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide (PubChem CID 82908360) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
PubChem CID82908360
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1CSCCN1
InChIInChI=1S/C8H13F3N2OS/c1-13(5-8(9,10)11)7(14)6-4-15-3-2-12-6/h6,12H,2-5H2,1H3
InChIKeyFRMMPZAHOWBVAU-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide 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-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide (CID 82908360) is N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide is CN(CC(F)(F)F)C(=O)C1CSCCN1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
The InChIKey is FRMMPZAHOWBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c1-13(5-8(9,10)11)7(14)6-4-15-3-2-12-6/h6,12H,2-5H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide?
N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).