[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

C10H20F3N3O2S — CID 114812755

IUPAC[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESNCCN(C1CCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16(7-6-14)9-4-2-1-3-5-9/h9,15H,1-8,14H2
InChIKeyKRNLUHCQMGFMLU-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.98
Rot. Bonds6

About [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (PubChem CID 114812755) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
PubChem CID114812755
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESNCCN(C1CCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16(7-6-14)9-4-2-1-3-5-9/h9,15H,1-8,14H2
InChIKeyKRNLUHCQMGFMLU-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The IUPAC name of [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (CID 114812755) is [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The canonical SMILES for [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is NCCN(C1CCCCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The InChIKey is KRNLUHCQMGFMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16(7-6-14)9-4-2-1-3-5-9/h9,15H,1-8,14H2.
What are the key properties of [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane has a molecular weight of 303.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114812755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).