2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

C6H11F3N2O2S — CID 106174926

IUPAC2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESNC(=O)C(O)CNCCSC(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14-2-1-11-3-4(12)5(10)13/h4,11-12H,1-3H2,(H2,10,13)
InChIKeyLWEOECDICLJOEV-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.32
Rot. Bonds6

About 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (PubChem CID 106174926) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
PubChem CID106174926
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESNC(=O)C(O)CNCCSC(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14-2-1-11-3-4(12)5(10)13/h4,11-12H,1-3H2,(H2,10,13)
InChIKeyLWEOECDICLJOEV-UHFFFAOYSA-N
XLogP-0.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (CID 106174926) is 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is NC(=O)C(O)CNCCSC(F)(F)F.
What is the InChIKey of 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The InChIKey is LWEOECDICLJOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14-2-1-11-3-4(12)5(10)13/h4,11-12H,1-3H2,(H2,10,13).
What are the key properties of 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide has a molecular weight of 232.23 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is sourced from PubChem (CID 106174926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).