2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane

C7H16F3N3O3S — CID 114243748

IUPAC2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane
SMILESCN(CCOCCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O3S/c1-13(3-5-16-4-2-11)17(14,15)12-6-7(8,9)10/h12H,2-6,11H2,1H3
InChIKeyYFEKINCWLICLAL-UHFFFAOYSA-N
MW279.28 g/mol
LogP-0.71
Rot. Bonds8

About 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane

2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane (PubChem CID 114243748) has the molecular formula C7H16F3N3O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane
PubChem CID114243748
Molecular FormulaC7H16F3N3O3S
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane
SMILESCN(CCOCCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O3S/c1-13(3-5-16-4-2-11)17(14,15)12-6-7(8,9)10/h12H,2-6,11H2,1H3
InChIKeyYFEKINCWLICLAL-UHFFFAOYSA-N
XLogP-0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
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-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane?
The IUPAC name of 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane (CID 114243748) is 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane is CN(CCOCCN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane?
The InChIKey is YFEKINCWLICLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O3S/c1-13(3-5-16-4-2-11)17(14,15)12-6-7(8,9)10/h12H,2-6,11H2,1H3.
What are the key properties of 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane?
2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane has a molecular weight of 279.28 g/mol, XLogP of -0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethoxy)ethyl-methylsulfamoyl]amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 114243748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).