2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane

C6H14F3N3O2S — CID 107493945

IUPAC2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane
SMILESCCNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-2-11-15(13,14)12(4-3-10)5-6(7,8)9/h11H,2-5,10H2,1H3
InChIKeyMLHSOACRZVSJQF-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.34
Rot. Bonds6

About 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane

2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane (PubChem CID 107493945) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane
PubChem CID107493945
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC Name2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane
SMILESCCNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-2-11-15(13,14)12(4-3-10)5-6(7,8)9/h11H,2-5,10H2,1H3
InChIKeyMLHSOACRZVSJQF-UHFFFAOYSA-N
XLogP-0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
1,1,1-trifluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62657412
2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 148928042
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide
CID 43546064
N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 60891761
N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide
CID 60921244
N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 61349695
N-(2-aminoethyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 61351218
N-[2-(ethylamino)ethyl]-1,1-difluoromethanesulfonamide
CID 62663864

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane?
The IUPAC name of 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane (CID 107493945) is 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane is CCNS(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane?
The InChIKey is MLHSOACRZVSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-2-11-15(13,14)12(4-3-10)5-6(7,8)9/h11H,2-5,10H2,1H3.
What are the key properties of 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane?
2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane has a molecular weight of 249.26 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 107493945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).