N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene

C16H25F3N2O2RuS — CID 87833910

IUPACN-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.N[C@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F.[Ru]
InChIInChI=1S/C9H12.C7H13F3N2O2S.Ru/c1-7-5-4-6-8(2)9(7)3;8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11;/h4-6H,1-3H3;5-6,12H,1-4,11H2;/t;5-,6-;/m.0./s1
InChIKeyVISLMLPOBSPCKV-DQMILIFFSA-N
MW467.52 g/mol
LogP3.30
Rot. Bonds2

About N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene

N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene (PubChem CID 87833910) has the molecular formula C16H25F3N2O2RuS and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene
PubChem CID87833910
Molecular FormulaC16H25F3N2O2RuS
Molecular Weight467.52 g/mol
Exact Mass468.06
IUPAC NameN-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.N[C@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F.[Ru]
InChIInChI=1S/C9H12.C7H13F3N2O2S.Ru/c1-7-5-4-6-8(2)9(7)3;8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11;/h4-6H,1-3H3;5-6,12H,1-4,11H2;/t;5-,6-;/m.0./s1
InChIKeyVISLMLPOBSPCKV-DQMILIFFSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene with MolForge

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87792256
N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene
CID 87832613
N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene
CID 87833603
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63252615
N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide
CID 18350596
ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 19815319
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-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
CID 93453493
N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
CID 59537762

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene?
The IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene (CID 87833910) is N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene?
The canonical SMILES for N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene is Cc1cccc(C)c1C.N[C@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F.[Ru].
What is the InChIKey of N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene?
The InChIKey is VISLMLPOBSPCKV-DQMILIFFSA-N. The full InChI is InChI=1S/C9H12.C7H13F3N2O2S.Ru/c1-7-5-4-6-8(2)9(7)3;8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11;/h4-6H,1-3H3;5-6,12H,1-4,11H2;/t;5-,6-;/m.0./s1.
What are the key properties of N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene?
N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene has a molecular weight of 467.52 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene is sourced from PubChem (CID 87833910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).