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

C10H20F3N3O2S — CID 114803766

IUPAC1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-16(9(7-14)5-3-2-4-6-9)19(17,18)15-8-10(11,12)13/h15H,2-8,14H2,1H3
InChIKeyQUBPNFVOTIAZSA-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.98
Rot. Bonds5

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

1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (PubChem CID 114803766) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
PubChem CID114803766
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCN(C1(CN)CCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-16(9(7-14)5-3-2-4-6-9)19(17,18)15-8-10(11,12)13/h15H,2-8,14H2,1H3
InChIKeyQUBPNFVOTIAZSA-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(aminomethyl)-4,4-difluoro-N,N-dimethylcyclohexan-1-amine
CID 117626887
1,1-Difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane
CID 167049417
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62007814
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008219
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-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)cyclohexyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048542
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83068387

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (CID 114803766) is 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is CN(C1(CN)CCCCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The InChIKey is QUBPNFVOTIAZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-16(9(7-14)5-3-2-4-6-9)19(17,18)15-8-10(11,12)13/h15H,2-8,14H2,1H3.
What are the key properties of 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane has a molecular weight of 303.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114803766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).