1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane

C8H18F3N3O2S — CID 114812748

IUPAC1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
SMILESCCCCN(CCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-2-3-5-14(6-4-12)17(15,16)13-7-8(9,10)11/h13H,2-7,12H2,1H3
InChIKeyVDSYBNUJQNEVAI-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.44
Rot. Bonds8

About 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane

1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane (PubChem CID 114812748) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane.

Molecular Properties

Compound Name1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
PubChem CID114812748
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
SMILESCCCCN(CCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-2-3-5-14(6-4-12)17(15,16)13-7-8(9,10)11/h13H,2-7,12H2,1H3
InChIKeyVDSYBNUJQNEVAI-UHFFFAOYSA-N
XLogP0.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
CID 114803760
2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493945
2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 106609173
1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114803901
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
1-amino-2-[[2-aminoethyl(ethyl)sulfamoyl]amino]ethane
CID 155056416
octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
CID 89281546
3-amino-N-butyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105113
N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
CID 63765608
4-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545

Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane?
The IUPAC name of 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane (CID 114812748) is 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane.
What is the SMILES notation for 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane?
The canonical SMILES for 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane is CCCCN(CCN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane?
The InChIKey is VDSYBNUJQNEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-2-3-5-14(6-4-12)17(15,16)13-7-8(9,10)11/h13H,2-7,12H2,1H3.
What are the key properties of 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane?
1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane has a molecular weight of 277.31 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane is sourced from PubChem (CID 114812748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).