2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide

C9H15F3N2OS — CID 115635217

IUPAC2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide
SMILESCC1SCCN(C(=O)NCC(F)(F)F)C1C
InChIInChI=1S/C9H15F3N2OS/c1-6-7(2)16-4-3-14(6)8(15)13-5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyZAXCAJCJKIUDCI-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.08
Rot. Bonds1

About 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide

2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide (PubChem CID 115635217) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide
PubChem CID115635217
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC Name2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide
SMILESCC1SCCN(C(=O)NCC(F)(F)F)C1C
InChIInChI=1S/C9H15F3N2OS/c1-6-7(2)16-4-3-14(6)8(15)13-5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyZAXCAJCJKIUDCI-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)thiomorpholine-4-carboxamide
CID 71859672
1-(2-Fluoroethyl)-3-(tetrahydro-2h-thiopyran-4-yl)urea
CID 270932
2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 72116653
N-(thian-3-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71924343
2,2-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 71974909
N-(4-methylsulfanylbutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71977268
N-(1-methylsulfanylpropan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71977270
2,2-dimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboxamide
CID 75377523
3-methyl-N-(thiolan-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 84592173
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 91641744
(2R,6S)-2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 96109402
(2S,6S)-2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 96109403

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide (CID 115635217) is 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide is CC1SCCN(C(=O)NCC(F)(F)F)C1C.
What is the InChIKey of 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide?
The InChIKey is ZAXCAJCJKIUDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-6-7(2)16-4-3-14(6)8(15)13-5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide?
2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide has a molecular weight of 256.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2,2,2-trifluoroethyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 115635217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).