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

C11H22F3N3O2S — CID 114803783

IUPAC1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCC1CCC(CN)(N(C)S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O2S/c1-9-3-5-10(7-15,6-4-9)17(2)20(18,19)16-8-11(12,13)14/h9,16H,3-8,15H2,1-2H3
InChIKeyNVGHWZHPWVRCKW-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.22
Rot. Bonds5

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

1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (PubChem CID 114803783) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
PubChem CID114803783
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC Name1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCC1CCC(CN)(N(C)S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O2S/c1-9-3-5-10(7-15,6-4-9)17(2)20(18,19)16-8-11(12,13)14/h9,16H,3-8,15H2,1-2H3
InChIKeyNVGHWZHPWVRCKW-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[[Methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
CID 167049418
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62007814
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008815
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62009005
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009009
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)cyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010614
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62010618
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62010626
1-(aminomethyl)-N,N-dimethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756494
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83048543

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (CID 114803783) is 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is CC1CCC(CN)(N(C)S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The InChIKey is NVGHWZHPWVRCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-9-3-5-10(7-15,6-4-9)17(2)20(18,19)16-8-11(12,13)14/h9,16H,3-8,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane has a molecular weight of 317.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114803783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).