2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine

C9H18F3N3O2S — CID 114810960

IUPAC2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
SMILESNCC1CCCCC1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-14-18(16,17)15-8-4-2-1-3-7(8)5-13/h7-8,14-15H,1-6,13H2
InChIKeyCGZXPZCQGKMVOI-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.49
Rot. Bonds5

About 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine

2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine (PubChem CID 114810960) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
PubChem CID114810960
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
SMILESNCC1CCCCC1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-14-18(16,17)15-8-4-2-1-3-7(8)5-13/h7-8,14-15H,1-6,13H2
InChIKeyCGZXPZCQGKMVOI-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-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
1,1-Difluoro-4-[(sulfamoylamino)methyl]cyclohexane
CID 175947615
1-[(Sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
CID 175947647
1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 14965465
N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 53376205
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
N-[(2-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 64929044
N-[2-(aminomethyl)cyclohexyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 65827245
N-[2-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 65828635
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 65839639

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine (CID 114810960) is 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine is NCC1CCCCC1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The InChIKey is CGZXPZCQGKMVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c10-9(11,12)6-14-18(16,17)15-8-4-2-1-3-7(8)5-13/h7-8,14-15H,1-6,13H2.
What are the key properties of 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)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 2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine is sourced from PubChem (CID 114810960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).