N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride

C24H30ClN2O2RuS — CID 71744476

IUPACN-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride
SMILESCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.Cc1cc(C)cc(C)c1.[Cl-].[Ru+]
InChIInChI=1S/C15H18N2O2S.C9H12.ClH.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7-4-8(2)6-9(3)5-7;;/h2-11,14-15,17H,16H2,1H3;4-6H,1-3H3;1H;/q;;;+1/p-1/t14-,15-;;;/m0.../s1
InChIKeyJEGRHVJSXTYAHY-CEHYLXJWSA-M
MW547.11 g/mol
LogP1.59
Rot. Bonds5

About N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride

N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride (PubChem CID 71744476) has the molecular formula C24H30ClN2O2RuS and a molecular weight of 547.11 g/mol. Its IUPAC name is N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride.

Molecular Properties

Compound NameN-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride
PubChem CID71744476
Molecular FormulaC24H30ClN2O2RuS
Molecular Weight547.11 g/mol
Exact Mass547.08
IUPAC NameN-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride
SMILESCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.Cc1cc(C)cc(C)c1.[Cl-].[Ru+]
InChIInChI=1S/C15H18N2O2S.C9H12.ClH.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7-4-8(2)6-9(3)5-7;;/h2-11,14-15,17H,16H2,1H3;4-6H,1-3H3;1H;/q;;;+1/p-1/t14-,15-;;;/m0.../s1
InChIKeyJEGRHVJSXTYAHY-CEHYLXJWSA-M
XLogP1.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.11
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-amino-1,2-diphenylethyl]methanesulfonamide;1-methyl-4-propan-2-ylbenzene;ruthenium(1+);chloride
CID 71744443
N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
CID 23020097
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide;ruthenium;1,3,5-trimethylbenzene
CID 87738604
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 23070407
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738343
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738686
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-1-(4-methylphenyl)-1-oxomethanesulfonamide
CID 87616678
4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide
CID 89035973
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;1-methyl-4-propan-2-ylbenzene;ruthenium
CID 87738223

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride?
The IUPAC name of N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride (CID 71744476) is N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride.
What is the SMILES notation for N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride?
The canonical SMILES for N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride is CS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.Cc1cc(C)cc(C)c1.[Cl-].[Ru+].
What is the InChIKey of N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride?
The InChIKey is JEGRHVJSXTYAHY-CEHYLXJWSA-M. The full InChI is InChI=1S/C15H18N2O2S.C9H12.ClH.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7-4-8(2)6-9(3)5-7;;/h2-11,14-15,17H,16H2,1H3;4-6H,1-3H3;1H;/q;;;+1/p-1/t14-,15-;;;/m0.../s1.
What are the key properties of N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride?
N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride has a molecular weight of 547.11 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride is sourced from PubChem (CID 71744476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).