1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

C12H24F3N3O2S — CID 114803817

IUPAC1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCCC1CCC(CN)(N(C)S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O2S/c1-3-10-4-6-11(8-16,7-5-10)18(2)21(19,20)17-9-12(13,14)15/h10,17H,3-9,16H2,1-2H3
InChIKeyYUCUXUJDSRHTIN-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.61
Rot. Bonds6

About 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (PubChem CID 114803817) has the molecular formula C12H24F3N3O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
PubChem CID114803817
Molecular FormulaC12H24F3N3O2S
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC Name1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCCC1CCC(CN)(N(C)S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O2S/c1-3-10-4-6-11(8-16,7-5-10)18(2)21(19,20)17-9-12(13,14)15/h10,17H,3-9,16H2,1-2H3
InChIKeyYUCUXUJDSRHTIN-UHFFFAOYSA-N
XLogP1.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60892907
1-(aminomethyl)-N,4-diethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61603573
1-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61605855
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 62008121
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008815
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009009
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62009315
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,4-diethylcyclohexan-1-amine
CID 62009320
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009821
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62010224
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62010618
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62010626

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (CID 114803817) is 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is CCC1CCC(CN)(N(C)S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The InChIKey is YUCUXUJDSRHTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2S/c1-3-10-4-6-11(8-16,7-5-10)18(2)21(19,20)17-9-12(13,14)15/h10,17H,3-9,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane has a molecular weight of 331.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114803817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).