N-methyl-3-(trifluoromethylsulfanyl)propanamide

C5H8F3NOS — CID 130427127

IUPACN-methyl-3-(trifluoromethylsulfanyl)propanamide
SMILESCNC(=O)CCSC(F)(F)F
InChIInChI=1S/C5H8F3NOS/c1-9-4(10)2-3-11-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyYQOFLXGTKZLKQU-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.38
Rot. Bonds3

About N-methyl-3-(trifluoromethylsulfanyl)propanamide

N-methyl-3-(trifluoromethylsulfanyl)propanamide (PubChem CID 130427127) has the molecular formula C5H8F3NOS and a molecular weight of 187.19 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethylsulfanyl)propanamide
PubChem CID130427127
Molecular FormulaC5H8F3NOS
Molecular Weight187.19 g/mol
Exact Mass187.03
IUPAC NameN-methyl-3-(trifluoromethylsulfanyl)propanamide
SMILESCNC(=O)CCSC(F)(F)F
InChIInChI=1S/C5H8F3NOS/c1-9-4(10)2-3-11-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyYQOFLXGTKZLKQU-UHFFFAOYSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N-methyl-3-(trifluoromethylsulfanyl)propanamide (CID 130427127) is N-methyl-3-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N-methyl-3-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N-methyl-3-(trifluoromethylsulfanyl)propanamide is CNC(=O)CCSC(F)(F)F.
What is the InChIKey of N-methyl-3-(trifluoromethylsulfanyl)propanamide?
The InChIKey is YQOFLXGTKZLKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NOS/c1-9-4(10)2-3-11-5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of N-methyl-3-(trifluoromethylsulfanyl)propanamide?
N-methyl-3-(trifluoromethylsulfanyl)propanamide has a molecular weight of 187.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 130427127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).