N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

C6H14F3N3O2S — CID 114810646

IUPACN-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESCCNCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-2-10-3-4-11-15(13,14)12-5-6(7,8)9/h10-12H,2-5H2,1H3
InChIKeyVCYSAYKJMUBKJA-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.42
Rot. Bonds7

About N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (PubChem CID 114810646) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
PubChem CID114810646
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC NameN-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESCCNCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-2-10-3-4-11-15(13,14)12-5-6(7,8)9/h10-12H,2-5H2,1H3
InChIKeyVCYSAYKJMUBKJA-UHFFFAOYSA-N
XLogP-0.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
1,1,1-trifluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62657412
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738
1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide
CID 43546064
N-ethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 55010529
N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 60891761
N-[2-(2,2-difluoroethylamino)ethyl]methanesulfonamide
CID 60921244
N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 61349695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (CID 114810646) is N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is CCNCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The InChIKey is VCYSAYKJMUBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-2-10-3-4-11-15(13,14)12-5-6(7,8)9/h10-12H,2-5H2,1H3.
What are the key properties of N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine has a molecular weight of 249.26 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 114810646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).