3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine

C7H16F3N3O3S — CID 106308204

IUPAC3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESNCCOCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O3S/c8-7(9,10)6-13-17(14,15)12-3-1-4-16-5-2-11/h12-13H,1-6,11H2
InChIKeyUSTUJZZCUGMLOO-UHFFFAOYSA-N
MW279.28 g/mol
LogP-0.66
Rot. Bonds9

About 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine

3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (PubChem CID 106308204) has the molecular formula C7H16F3N3O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
PubChem CID106308204
Molecular FormulaC7H16F3N3O3S
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESNCCOCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O3S/c8-7(9,10)6-13-17(14,15)12-3-1-4-16-5-2-11/h12-13H,1-6,11H2
InChIKeyUSTUJZZCUGMLOO-UHFFFAOYSA-N
XLogP-0.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 5-0.66
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 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The IUPAC name of 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (CID 106308204) is 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.
What is the SMILES notation for 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The canonical SMILES for 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is NCCOCCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The InChIKey is USTUJZZCUGMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O3S/c8-7(9,10)6-13-17(14,15)12-3-1-4-16-5-2-11/h12-13H,1-6,11H2.
What are the key properties of 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine has a molecular weight of 279.28 g/mol, XLogP of -0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is sourced from PubChem (CID 106308204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).