2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine

C5H11F3N2O3S — CID 114807146

IUPAC2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine
SMILESCOCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N2O3S/c1-13-3-2-9-14(11,12)10-4-5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyAWUWMTMUHZIYJF-UHFFFAOYSA-N
MW236.21 g/mol
LogP-0.38
Rot. Bonds6

About 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine

2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine (PubChem CID 114807146) has the molecular formula C5H11F3N2O3S and a molecular weight of 236.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine
PubChem CID114807146
Molecular FormulaC5H11F3N2O3S
Molecular Weight236.21 g/mol
Exact Mass236.04
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine
SMILESCOCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N2O3S/c1-13-3-2-9-14(11,12)10-4-5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyAWUWMTMUHZIYJF-UHFFFAOYSA-N
XLogP-0.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 5-0.38
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 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine (CID 114807146) is 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine is COCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine?
The InChIKey is AWUWMTMUHZIYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O3S/c1-13-3-2-9-14(11,12)10-4-5(6,7)8/h9-10H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine?
2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine has a molecular weight of 236.21 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine is sourced from PubChem (CID 114807146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).