5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide

C8H15F3N2OS — CID 103089223

IUPAC5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide
SMILESCSCCCC(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C8H15F3N2OS/c1-15-4-2-3-6(7(12)14)13-5-8(9,10)11/h6,13H,2-5H2,1H3,(H2,12,14)
InChIKeyGLNIUBIVTNZEAU-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.14
Rot. Bonds7

About 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide

5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide (PubChem CID 103089223) has the molecular formula C8H15F3N2OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide.

Molecular Properties

Compound Name5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide
PubChem CID103089223
Molecular FormulaC8H15F3N2OS
Molecular Weight244.28 g/mol
Exact Mass244.09
IUPAC Name5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide
SMILESCSCCCC(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C8H15F3N2OS/c1-15-4-2-3-6(7(12)14)13-5-8(9,10)11/h6,13H,2-5H2,1H3,(H2,12,14)
InChIKeyGLNIUBIVTNZEAU-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.14
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 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide?
The IUPAC name of 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide (CID 103089223) is 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide.
What is the SMILES notation for 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide?
The canonical SMILES for 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide is CSCCCC(NCC(F)(F)F)C(N)=O.
What is the InChIKey of 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide?
The InChIKey is GLNIUBIVTNZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2OS/c1-15-4-2-3-6(7(12)14)13-5-8(9,10)11/h6,13H,2-5H2,1H3,(H2,12,14).
What are the key properties of 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide?
5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide has a molecular weight of 244.28 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-(2,2,2-trifluoroethylamino)pentanamide is sourced from PubChem (CID 103089223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).