N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

C11H21F3N2OS — CID 106429332

IUPACN-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCCSC(F)(F)F
InChIInChI=1S/C11H21F3N2OS/c1-5-10(3,4)16-9(17)8(2)15-6-7-18-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyMXFDLNGXVKLLGW-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.52
Rot. Bonds7

About N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (PubChem CID 106429332) has the molecular formula C11H21F3N2OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
PubChem CID106429332
Molecular FormulaC11H21F3N2OS
Molecular Weight286.36 g/mol
Exact Mass286.13
IUPAC NameN-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCCSC(F)(F)F
InChIInChI=1S/C11H21F3N2OS/c1-5-10(3,4)16-9(17)8(2)15-6-7-18-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyMXFDLNGXVKLLGW-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (CID 106429332) is N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is CCC(C)(C)NC(=O)C(C)NCCSC(F)(F)F.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The InChIKey is MXFDLNGXVKLLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2OS/c1-5-10(3,4)16-9(17)8(2)15-6-7-18-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide has a molecular weight of 286.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is sourced from PubChem (CID 106429332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).