N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium

C13H19F3N2O2RuS — CID 87792256

IUPACN-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F.[Ru].c1ccccc1
InChIInChI=1S/C7H13F3N2O2S.C6H6.Ru/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11;1-2-4-6-5-3-1;/h5-6,12H,1-4,11H2;1-6H;/t5-,6-;;/m1../s1
InChIKeyXQOSDSKPDGFOOU-BNTLRKBRSA-N
MW425.44 g/mol
LogP2.38
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium

N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium (PubChem CID 87792256) has the molecular formula C13H19F3N2O2RuS and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
PubChem CID87792256
Molecular FormulaC13H19F3N2O2RuS
Molecular Weight425.44 g/mol
Exact Mass426.02
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F.[Ru].c1ccccc1
InChIInChI=1S/C7H13F3N2O2S.C6H6.Ru/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11;1-2-4-6-5-3-1;/h5-6,12H,1-4,11H2;1-6H;/t5-,6-;;/m1../s1
InChIKeyXQOSDSKPDGFOOU-BNTLRKBRSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene
CID 87833910
N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide
CID 18350596
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
CID 143893294
N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63252615
ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 19815319
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine;trifluoromethanesulfonic acid
CID 46176570
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537672
N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene
CID 87833603

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium (CID 87792256) is N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium is N[C@@H]1CCCC[C@H]1NS(=O)(=O)C(F)(F)F.[Ru].c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium?
The InChIKey is XQOSDSKPDGFOOU-BNTLRKBRSA-N. The full InChI is InChI=1S/C7H13F3N2O2S.C6H6.Ru/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11;1-2-4-6-5-3-1;/h5-6,12H,1-4,11H2;1-6H;/t5-,6-;;/m1../s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium?
N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium has a molecular weight of 425.44 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium is sourced from PubChem (CID 87792256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).