N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

C9H17F3N2OS — CID 103108792

IUPACN-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCCSC(F)(F)F
InChIInChI=1S/C9H17F3N2OS/c1-4-14(3)8(15)7(2)13-5-6-16-9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyVTKLYLAPJIJFIV-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.70
Rot. Bonds6

About N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (PubChem CID 103108792) has the molecular formula C9H17F3N2OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
PubChem CID103108792
Molecular FormulaC9H17F3N2OS
Molecular Weight258.31 g/mol
Exact Mass258.10
IUPAC NameN-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCCSC(F)(F)F
InChIInChI=1S/C9H17F3N2OS/c1-4-14(3)8(15)7(2)13-5-6-16-9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyVTKLYLAPJIJFIV-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, trifluoroacetate
CID 57225
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727
S-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyl] ethanethioate
CID 21156299
S-[2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]ethyl] ethanethioate
CID 44332781
3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 53383071
2-acetamido-N,N-dimethyl-4-(methylsulfanyl)butanamide
CID 5245532
2-amino-3-(methylsulfanyl)-N-[3-(methylsulfanyl)propyl]propanamide
CID 85650766
N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
CID 38441371
5-oxo-N-(2,2,2-trifluoroethyl)-1,4-thiazepane-3-carboxamide
CID 71798103
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
CID 71941303
N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 71941853

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (CID 103108792) is N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is CCN(C)C(=O)C(C)NCCSC(F)(F)F.
What is the InChIKey of N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The InChIKey is VTKLYLAPJIJFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2OS/c1-4-14(3)8(15)7(2)13-5-6-16-9(10,11)12/h7,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide has a molecular weight of 258.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is sourced from PubChem (CID 103108792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).