4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine

C9H18F3N3O2S — CID 106126247

IUPAC4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESNC1CCC(CNS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-7-1-3-8(13)4-2-7/h7-8,14-15H,1-6,13H2
InChIKeyXZMWQXSQYHASGF-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.49
Rot. Bonds5

About 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine

4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine (PubChem CID 106126247) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
PubChem CID106126247
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESNC1CCC(CNS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-7-1-3-8(13)4-2-7/h7-8,14-15H,1-6,13H2
InChIKeyXZMWQXSQYHASGF-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
1,1-Difluoro-4-[(sulfamoylamino)methyl]cyclohexane
CID 175947615
1-[(Sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
CID 175947647
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane
CID 35323866
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 60722151
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine (CID 106126247) is 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine is NC1CCC(CNS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine?
The InChIKey is XZMWQXSQYHASGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-7-1-3-8(13)4-2-7/h7-8,14-15H,1-6,13H2.
What are the key properties of 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine?
4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106126247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).