N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene

C21H30N2O2RuS — CID 87832086

IUPACN-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)cc1.Cc1ccccc1C.[Ru]
InChIInChI=1S/C13H20N2O2S.C8H10.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-7-5-3-4-6-8(7)2;/h6-9,12-13,15H,2-5,14H2,1H3;3-6H,1-2H3;/t12-,13-;;/m1../s1
InChIKeyYNAIOUFVXPXMHC-SNFSYSBXSA-N
MW475.62 g/mol
LogP3.84
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene

N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene (PubChem CID 87832086) has the molecular formula C21H30N2O2RuS and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
PubChem CID87832086
Molecular FormulaC21H30N2O2RuS
Molecular Weight475.62 g/mol
Exact Mass476.11
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)cc1.Cc1ccccc1C.[Ru]
InChIInChI=1S/C13H20N2O2S.C8H10.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-7-5-3-4-6-8(7)2;/h6-9,12-13,15H,2-5,14H2,1H3;3-6H,1-2H3;/t12-,13-;;/m1../s1
InChIKeyYNAIOUFVXPXMHC-SNFSYSBXSA-N
XLogP3.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
CID 58915457
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
dimethyl 2-[2-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanedioate
CID 53384267
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
benzyl N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]carbamate
CID 50906329
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene (CID 87832086) is N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene is Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)cc1.Cc1ccccc1C.[Ru].
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene?
The InChIKey is YNAIOUFVXPXMHC-SNFSYSBXSA-N. The full InChI is InChI=1S/C13H20N2O2S.C8H10.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;1-7-5-3-4-6-8(7)2;/h6-9,12-13,15H,2-5,14H2,1H3;3-6H,1-2H3;/t12-,13-;;/m1../s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene?
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene has a molecular weight of 475.62 g/mol, XLogP of 3.84, 3 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]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene is sourced from PubChem (CID 87832086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).