2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

C6H11F3N2OS — CID 43249652

IUPAC2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCSCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2OS/c7-6(8,9)4-11-5(12)3-13-2-1-10/h1-4,10H2,(H,11,12)
InChIKeyRNBONJBKGOOQTK-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.36
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43249652) has the molecular formula C6H11F3N2OS and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43249652
Molecular FormulaC6H11F3N2OS
Molecular Weight216.23 g/mol
Exact Mass216.05
IUPAC Name2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCSCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2OS/c7-6(8,9)4-11-5(12)3-13-2-1-10/h1-4,10H2,(H,11,12)
InChIKeyRNBONJBKGOOQTK-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.36
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 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 43249652) is 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide is NCCSCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RNBONJBKGOOQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2OS/c7-6(8,9)4-11-5(12)3-13-2-1-10/h1-4,10H2,(H,11,12).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 216.23 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43249652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).