3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine

C9H20F3N3O2S — CID 114168570

IUPAC3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-3-7(4-2)8(13)5-14-18(16,17)15-6-9(10,11)12/h7-8,14-15H,3-6,13H2,1-2H3
InChIKeyYTFNUTQEOPJRRB-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.74
Rot. Bonds8

About 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine

3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine (PubChem CID 114168570) has the molecular formula C9H20F3N3O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
PubChem CID114168570
Molecular FormulaC9H20F3N3O2S
Molecular Weight291.34 g/mol
Exact Mass291.12
IUPAC Name3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-3-7(4-2)8(13)5-14-18(16,17)15-6-9(10,11)12/h7-8,14-15H,3-6,13H2,1-2H3
InChIKeyYTFNUTQEOPJRRB-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

1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
CID 140915623
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 102913101
1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine
CID 106125687
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
N-(2-amino-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106286679
N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide
CID 106286744
1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 106737872
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
2-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 113637452
2,4-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637456
[2-Amino-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethyl]cyclopropane
CID 113637468

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine (CID 114168570) is 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine is CCC(CC)C(N)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine?
The InChIKey is YTFNUTQEOPJRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3N3O2S/c1-3-7(4-2)8(13)5-14-18(16,17)15-6-9(10,11)12/h7-8,14-15H,3-6,13H2,1-2H3.
What are the key properties of 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine?
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-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 3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine is sourced from PubChem (CID 114168570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).