N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene

C17H30N2O2RuS — CID 87832613

IUPACN-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@H]1N.Cc1ccc(C)c(C)c1C.[Ru]
InChIInChI=1S/C10H14.C7H16N2O2S.Ru/c1-7-5-6-8(2)10(4)9(7)3;1-12(10,11)9-7-5-3-2-4-6(7)8;/h5-6H,1-4H3;6-7,9H,2-5,8H2,1H3;/t;6-,7-;/m.1./s1
InChIKeyWWABUGOZUDQOOV-AELHJWEPSA-N
MW427.58 g/mol
LogP2.72
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene

N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene (PubChem CID 87832613) has the molecular formula C17H30N2O2RuS and a molecular weight of 427.58 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene
PubChem CID87832613
Molecular FormulaC17H30N2O2RuS
Molecular Weight427.58 g/mol
Exact Mass428.11
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@H]1N.Cc1ccc(C)c(C)c1C.[Ru]
InChIInChI=1S/C10H14.C7H16N2O2S.Ru/c1-7-5-6-8(2)10(4)9(7)3;1-12(10,11)9-7-5-3-2-4-6(7)8;/h5-6H,1-4H3;6-7,9H,2-5,8H2,1H3;/t;6-,7-;/m.1./s1
InChIKeyWWABUGOZUDQOOV-AELHJWEPSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.58
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,5-tetramethylbenzene
CID 87833603
N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene
CID 87833910
2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
CID 115117840
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
CID 11043842
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 124694470
N-[3-[(2-aminocyclopentyl)sulfamoyl]-4-methylphenyl]acetamide
CID 63251945
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487
N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
CID 59537762
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene (CID 87832613) is N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene is CS(=O)(=O)N[C@@H]1CCCC[C@H]1N.Cc1ccc(C)c(C)c1C.[Ru].
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene?
The InChIKey is WWABUGOZUDQOOV-AELHJWEPSA-N. The full InChI is InChI=1S/C10H14.C7H16N2O2S.Ru/c1-7-5-6-8(2)10(4)9(7)3;1-12(10,11)9-7-5-3-2-4-6(7)8;/h5-6H,1-4H3;6-7,9H,2-5,8H2,1H3;/t;6-,7-;/m.1./s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene?
N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene has a molecular weight of 427.58 g/mol, XLogP of 2.72, 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]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene is sourced from PubChem (CID 87832613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).