1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

C11H22F3N3O2S — CID 114810983

IUPAC1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCCN(C1CCCCC1CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H22F3N3O2S/c1-2-17(10-6-4-3-5-9(10)7-15)20(18,19)16-8-11(12,13)14/h9-10,16H,2-8,15H2,1H3
InChIKeyDSNOFLFZBIXWLX-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.22
Rot. Bonds6

About 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (PubChem CID 114810983) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
PubChem CID114810983
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC Name1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCCN(C1CCCCC1CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H22F3N3O2S/c1-2-17(10-6-4-3-5-9(10)7-15)20(18,19)16-8-11(12,13)14/h9-10,16H,2-8,15H2,1H3
InChIKeyDSNOFLFZBIXWLX-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[ethyl(propylsulfamoyl)amino]cyclopentane
CID 114810971
1-(aminomethyl)-2-[ethyl(methylsulfamoyl)amino]cyclohexane
CID 114810985
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
CID 82842962
[2-hydroxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
CID 114809431
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 60891551
1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114803901
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114812748
1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 102639224
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 106609173
2-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115514927

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (CID 114810983) is 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is CCN(C1CCCCC1CN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The InChIKey is DSNOFLFZBIXWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-2-17(10-6-4-3-5-9(10)7-15)20(18,19)16-8-11(12,13)14/h9-10,16H,2-8,15H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane has a molecular weight of 317.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114810983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).