2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine

C9H20F3N3O2S — CID 114164159

IUPAC2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-3-8(4-2,5-13)6-14-18(16,17)15-7-9(10,11)12/h14-15H,3-7,13H2,1-2H3
InChIKeyXSGWMWMDPXOWSE-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.74
Rot. Bonds8

About 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine

2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine (PubChem CID 114164159) has the molecular formula C9H20F3N3O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
PubChem CID114164159
Molecular FormulaC9H20F3N3O2S
Molecular Weight291.34 g/mol
Exact Mass291.12
IUPAC Name2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-3-8(4-2,5-13)6-14-18(16,17)15-7-9(10,11)12/h14-15H,3-7,13H2,1-2H3
InChIKeyXSGWMWMDPXOWSE-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane
CID 100744474
N-(2-ethyl-2-methylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 164021219
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106251209
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114149107
4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 114178222
2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 114807269
2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114812908
N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812921
N-[[1-(2-aminoethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114813039
2,2-diethyl-N'-(ethylsulfamoyl)propane-1,3-diamine
CID 106251183

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine (CID 114164159) is 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine is CCC(CC)(CN)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The InChIKey is XSGWMWMDPXOWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3N3O2S/c1-3-8(4-2,5-13)6-14-18(16,17)15-7-9(10,11)12/h14-15H,3-7,13H2,1-2H3.
What are the key properties of 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine has a molecular weight of 291.34 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 114164159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).