2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N4OS — CID 109485260

IUPAC2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC1CN(/C(=N/C)NCC(=O)N(C)CC(F)(F)F)CCS1
InChIInChI=1S/C13H23F3N4OS/c1-4-10-8-20(5-6-22-10)12(17-2)18-7-11(21)19(3)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyDYYRFVBPNDPJII-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.41
Rot. Bonds4

About 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 109485260) has the molecular formula C13H23F3N4OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID109485260
Molecular FormulaC13H23F3N4OS
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC1CN(/C(=N/C)NCC(=O)N(C)CC(F)(F)F)CCS1
InChIInChI=1S/C13H23F3N4OS/c1-4-10-8-20(5-6-22-10)12(17-2)18-7-11(21)19(3)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyDYYRFVBPNDPJII-UHFFFAOYSA-N
XLogP1.41
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 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-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 109485260) is 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCC1CN(/C(=N/C)NCC(=O)N(C)CC(F)(F)F)CCS1.
What is the InChIKey of 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DYYRFVBPNDPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4OS/c1-4-10-8-20(5-6-22-10)12(17-2)18-7-11(21)19(3)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 109485260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).