[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)

C33H38N2O2RuS — CID 11157905

IUPAC[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1.[Ru+2]
InChIInChI=1S/C21H20N2O2S.C12H18.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-7-8(2)10(4)12(6)11(5)9(7)3;/h2-15,20-22H,1H3;1-6H3;/q-2;;+2/t20-,21-;;/m1../s1
InChIKeyMOXFNVMWTBYYEC-OXIQQVKJSA-N
MW627.82 g/mol
LogP9.13
Rot. Bonds6

About [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)

[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+) (PubChem CID 11157905) has the molecular formula C33H38N2O2RuS and a molecular weight of 627.82 g/mol. Its IUPAC name is [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+).

Molecular Properties

Compound Name[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)
PubChem CID11157905
Molecular FormulaC33H38N2O2RuS
Molecular Weight627.82 g/mol
Exact Mass628.17
IUPAC Name[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1.[Ru+2]
InChIInChI=1S/C21H20N2O2S.C12H18.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-7-8(2)10(4)12(6)11(5)9(7)3;/h2-15,20-22H,1H3;1-6H3;/q-2;;+2/t20-,21-;;/m1../s1
InChIKeyMOXFNVMWTBYYEC-OXIQQVKJSA-N
XLogP9.13
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841386
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(2+)
CID 164887101
(4-methylphenyl)sulfonyl-[(1S,2S)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide;ruthenium(2+);1,3,5-trimethylbenzene
CID 11061623
(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841387
pentakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;methane;pentakis(1-methyl-4-propan-2-ylbenzene);pentakis(pyridine);pentakis(ruthenium(4+))
CID 158958137
(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)
CID 178184233
(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;carbanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(4+);tetrafluoroborate
CID 160907983
(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841385
[(1R,2R)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);1,3,5-trimethylbenzene
CID 155885036
CID 24808888
CID 24808888
[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride
CID 78151937
CID 176507833
CID 176507833

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)?
The IUPAC name of [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+) (CID 11157905) is [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+).
What is the SMILES notation for [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)?
The canonical SMILES for [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+) is Cc1c(C)c(C)c(C)c(C)c1C.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1.[Ru+2].
What is the InChIKey of [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)?
The InChIKey is MOXFNVMWTBYYEC-OXIQQVKJSA-N. The full InChI is InChI=1S/C21H20N2O2S.C12H18.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-7-8(2)10(4)12(6)11(5)9(7)3;/h2-15,20-22H,1H3;1-6H3;/q-2;;+2/t20-,21-;;/m1../s1.
What are the key properties of [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)?
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+) has a molecular weight of 627.82 g/mol, XLogP of 9.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+) is sourced from PubChem (CID 11157905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).