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

C8H15F3N2OS — CID 106428151

IUPAC2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCNC(C)(C)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C8H15F3N2OS/c1-7(2,12-3)6(14)13-4-5-15-8(9,10)11/h12H,4-5H2,1-3H3,(H,13,14)
InChIKeyWYKHWLHSMWOCLO-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.35
Rot. Bonds5

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

2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (PubChem CID 106428151) has the molecular formula C8H15F3N2OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
PubChem CID106428151
Molecular FormulaC8H15F3N2OS
Molecular Weight244.28 g/mol
Exact Mass244.09
IUPAC Name2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCNC(C)(C)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C8H15F3N2OS/c1-7(2,12-3)6(14)13-4-5-15-8(9,10)11/h12H,4-5H2,1-3H3,(H,13,14)
InChIKeyWYKHWLHSMWOCLO-UHFFFAOYSA-N
XLogP1.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 53383071
2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76892736
2-(Trifluoromethyl)-1-thia-4,7-diazacycloundec-9-yn-5-one
CID 87443130
N-(2-cyanopropan-2-yl)-3-methylsulfanyl-2-(1,1,1-trifluoropropan-2-ylamino)propanamide
CID 90908049
(2R)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 104906864
2-acetamido-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]butanamide
CID 123961001
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 142040155
2-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 146414813
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-sulfanylpropanamide
CID 156532680
2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide
CID 164739911
2-(ethylamino)-N-[1-(ethylamino)-2-fluoro-1-oxopropan-2-yl]-2-fluoro-3-sulfanylpropanamide
CID 170416952
N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide
CID 60587391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (CID 106428151) is 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is CNC(C)(C)C(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The InChIKey is WYKHWLHSMWOCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2OS/c1-7(2,12-3)6(14)13-4-5-15-8(9,10)11/h12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide has a molecular weight of 244.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 106428151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).