N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine

C8H18F3N3O2S — CID 114008122

IUPACN'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine
SMILESNCCCCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c9-8(10,11)7-14-17(15,16)13-6-4-2-1-3-5-12/h13-14H,1-7,12H2
InChIKeyHNBZBXHWEZBJTA-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.49
Rot. Bonds9

About N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine

N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine (PubChem CID 114008122) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine
PubChem CID114008122
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC NameN'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine
SMILESNCCCCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c9-8(10,11)7-14-17(15,16)13-6-4-2-1-3-5-12/h13-14H,1-7,12H2
InChIKeyHNBZBXHWEZBJTA-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine?
The IUPAC name of N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine (CID 114008122) is N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine?
The canonical SMILES for N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine is NCCCCCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine?
The InChIKey is HNBZBXHWEZBJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c9-8(10,11)7-14-17(15,16)13-6-4-2-1-3-5-12/h13-14H,1-7,12H2.
What are the key properties of N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine?
N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine has a molecular weight of 277.31 g/mol, XLogP of 0.49, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine is sourced from PubChem (CID 114008122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).