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

C4H10F3N3O2S — CID 107493907

IUPAC2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
SMILESNCCN(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C4H10F3N3O2S/c5-4(6,7)3-10(2-1-8)13(9,11)12/h1-3,8H2,(H2,9,11,12)
InChIKeyPZRQHEHIFVTDCK-UHFFFAOYSA-N
MW221.20 g/mol
LogP-0.99
Rot. Bonds4

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

2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane (PubChem CID 107493907) has the molecular formula C4H10F3N3O2S and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
PubChem CID107493907
Molecular FormulaC4H10F3N3O2S
Molecular Weight221.20 g/mol
Exact Mass221.04
IUPAC Name2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
SMILESNCCN(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C4H10F3N3O2S/c5-4(6,7)3-10(2-1-8)13(9,11)12/h1-3,8H2,(H2,9,11,12)
InChIKeyPZRQHEHIFVTDCK-UHFFFAOYSA-N
XLogP-0.99
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 60891761
N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 61349695
N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 62665312
N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 62688262
N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
CID 63228038
N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 75478987
2-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 84803316
2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine
CID 84806756
N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide hydrochloride
CID 91623601

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane?
The IUPAC name of 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane (CID 107493907) is 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane is NCCN(CC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane?
The InChIKey is PZRQHEHIFVTDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F3N3O2S/c5-4(6,7)3-10(2-1-8)13(9,11)12/h1-3,8H2,(H2,9,11,12).
What are the key properties of 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane?
2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane has a molecular weight of 221.20 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 107493907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).