2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C8H15F3N2OS — CID 78881289

IUPAC2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCCN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2OS/c1-13(3-4-15-2)5-7(14)12-6-8(9,10)11/h3-6H2,1-2H3,(H,12,14)
InChIKeyGCLAFVKWSVAZKU-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.96
Rot. Bonds6

About 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78881289) has the molecular formula C8H15F3N2OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78881289
Molecular FormulaC8H15F3N2OS
Molecular Weight244.28 g/mol
Exact Mass244.09
IUPAC Name2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCCN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2OS/c1-13(3-4-15-2)5-7(14)12-6-8(9,10)11/h3-6H2,1-2H3,(H,12,14)
InChIKeyGCLAFVKWSVAZKU-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78881289) is 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CSCCN(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GCLAFVKWSVAZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2OS/c1-13(3-4-15-2)5-7(14)12-6-8(9,10)11/h3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 244.28 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78881289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).