3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide

C10H19F3N2OS — CID 103368794

IUPAC3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide
SMILESCC(C)OCCN(C)CC(C(N)=S)C(F)(F)F
InChIInChI=1S/C10H19F3N2OS/c1-7(2)16-5-4-15(3)6-8(9(14)17)10(11,12)13/h7-8H,4-6H2,1-3H3,(H2,14,17)
InChIKeySMKOTIRGUFUARR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.81
Rot. Bonds7

About 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide

3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide (PubChem CID 103368794) has the molecular formula C10H19F3N2OS and a molecular weight of 272.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide
PubChem CID103368794
Molecular FormulaC10H19F3N2OS
Molecular Weight272.34 g/mol
Exact Mass272.12
IUPAC Name3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide
SMILESCC(C)OCCN(C)CC(C(N)=S)C(F)(F)F
InChIInChI=1S/C10H19F3N2OS/c1-7(2)16-5-4-15(3)6-8(9(14)17)10(11,12)13/h7-8H,4-6H2,1-3H3,(H2,14,17)
InChIKeySMKOTIRGUFUARR-UHFFFAOYSA-N
XLogP1.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide 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

(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
2,2-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanethioamide
CID 81055852
2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81062306
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368657
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 166728027
2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 115665678
2,2-dimethoxy-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81057838
N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521840
1-bromo-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 112561816
3,3,3-trifluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]propanethioamide
CID 103368583
3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanethioamide
CID 103368843
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide (CID 103368794) is 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide is CC(C)OCCN(C)CC(C(N)=S)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide?
The InChIKey is SMKOTIRGUFUARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2OS/c1-7(2)16-5-4-15(3)6-8(9(14)17)10(11,12)13/h7-8H,4-6H2,1-3H3,(H2,14,17).
What are the key properties of 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide?
3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide has a molecular weight of 272.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]propanethioamide is sourced from PubChem (CID 103368794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).