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

C5H12F3N3O2S — CID 114803706

IUPAC2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
SMILESCN(CCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H12F3N3O2S/c1-11(3-2-9)14(12,13)10-4-5(6,7)8/h10H,2-4,9H2,1H3
InChIKeyBONSTHFCMZRWCJ-UHFFFAOYSA-N
MW235.23 g/mol
LogP-0.73
Rot. Bonds5

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

2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane (PubChem CID 114803706) has the molecular formula C5H12F3N3O2S and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
PubChem CID114803706
Molecular FormulaC5H12F3N3O2S
Molecular Weight235.23 g/mol
Exact Mass235.06
IUPAC Name2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
SMILESCN(CCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H12F3N3O2S/c1-11(3-2-9)14(12,13)10-4-5(6,7)8/h10H,2-4,9H2,1H3
InChIKeyBONSTHFCMZRWCJ-UHFFFAOYSA-N
XLogP-0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62657412
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738
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-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 60891761
N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 61349695
N-(2-aminoethyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 61351218
1-Amino-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 61456355
N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 62665312
N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 62688262

Frequently Asked Questions

What is the IUPAC name of 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The IUPAC name of 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane (CID 114803706) is 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane is CN(CCN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The InChIKey is BONSTHFCMZRWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3N3O2S/c1-11(3-2-9)14(12,13)10-4-5(6,7)8/h10H,2-4,9H2,1H3.
What are the key properties of 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane has a molecular weight of 235.23 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 114803706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).