3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine

C9H18F3N3O2S — CID 106125994

IUPAC3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CNS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-7-2-1-3-8(13)4-7/h7-8,14-15H,1-6,13H2
InChIKeyOKOHOTHWIDMBHS-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.49
Rot. Bonds5

About 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine

3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine (PubChem CID 106125994) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
PubChem CID106125994
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
SMILESNC1CCCC(CNS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-7-2-1-3-8(13)4-7/h7-8,14-15H,1-6,13H2
InChIKeyOKOHOTHWIDMBHS-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

Analyze 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
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
N-[3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 53514697
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961
N-[(2-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 64929044
N-[2-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 65849865
N-[2-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 65851416
cis-(1R,3S)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173994

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine (CID 106125994) is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine is NC1CCCC(CNS(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine?
The InChIKey is OKOHOTHWIDMBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-7-2-1-3-8(13)4-7/h7-8,14-15H,1-6,13H2.
What are the key properties of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine?
3-[(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 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106125994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).