3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine

C6H14F3N3O2S — CID 114803925

IUPAC3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine
SMILESCC(CCN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(2-3-10)12-15(13,14)11-4-6(7,8)9/h5,11-12H,2-4,10H2,1H3
InChIKeyGANGPLMCQBMOLY-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.29
Rot. Bonds6

About 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine

3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine (PubChem CID 114803925) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine
PubChem CID114803925
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC Name3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine
SMILESCC(CCN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(2-3-10)12-15(13,14)11-4-6(7,8)9/h5,11-12H,2-4,10H2,1H3
InChIKeyGANGPLMCQBMOLY-UHFFFAOYSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine
CID 22621389
N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
CID 22621391
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
N-(3-fluorobutan-2-yl)sulfamoyl fluoride
CID 130225175
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane
CID 140578437
N-(4-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 62094398
N-(3-aminobutyl)-1,1,1-trifluoromethanesulfonamide
CID 63251232
N-(3-aminobutyl)-1,1-difluoromethanesulfonamide
CID 63251708
N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide
CID 63732648
N-(1-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 65193737
N-(4-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
CID 104111572

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine?
The IUPAC name of 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine (CID 114803925) is 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine?
The canonical SMILES for 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine is CC(CCN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine?
The InChIKey is GANGPLMCQBMOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-5(2-3-10)12-15(13,14)11-4-6(7,8)9/h5,11-12H,2-4,10H2,1H3.
What are the key properties of 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine?
3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine has a molecular weight of 249.26 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine is sourced from PubChem (CID 114803925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).