(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)

C25H30N2O2RuS — CID 178184233

IUPAC(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)
SMILESCS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.Cc1ccc(C(C)C)cc1.[Ru+2]
InChIInChI=1S/C15H16N2O2S.C10H14.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-8(2)10-6-4-9(3)5-7-10;/h2-11,14-16H,1H3;4-8H,1-3H3;/q-2;;+2
InChIKeyQXUSYBZIFXOOBU-UHFFFAOYSA-N
MW523.66 g/mol
LogP6.97
Rot. Bonds6

About (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)

(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+) (PubChem CID 178184233) has the molecular formula C25H30N2O2RuS and a molecular weight of 523.66 g/mol. Its IUPAC name is (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+).

Molecular Properties

Compound Name(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)
PubChem CID178184233
Molecular FormulaC25H30N2O2RuS
Molecular Weight523.66 g/mol
Exact Mass524.11
IUPAC Name(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)
SMILESCS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.Cc1ccc(C(C)C)cc1.[Ru+2]
InChIInChI=1S/C15H16N2O2S.C10H14.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-8(2)10-6-4-9(3)5-7-10;/h2-11,14-16H,1H3;4-8H,1-3H3;/q-2;;+2
InChIKeyQXUSYBZIFXOOBU-UHFFFAOYSA-N
XLogP6.97
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.66
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841385
(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841386
CID 24808888
CID 24808888
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(2+)
CID 164887101
(2-azanidyl-1,2-diphenylethyl)-(4-fluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841387
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1,2,3,4,5,6-hexamethylbenzene;ruthenium(2+)
CID 11157905
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)-(4-methylphenyl)sulfonylazanide;carbanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(4+);tetrafluoroborate
CID 160907983
[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-methylsulfonylazanide;carbanide;iridium;trifluoromethanesulfonate
CID 134940314
(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride
CID 78076214
CID 176507833
CID 176507833
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894

Frequently Asked Questions

What is the IUPAC name of (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)?
The IUPAC name of (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+) (CID 178184233) is (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+).
What is the SMILES notation for (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)?
The canonical SMILES for (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+) is CS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.Cc1ccc(C(C)C)cc1.[Ru+2].
What is the InChIKey of (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)?
The InChIKey is QXUSYBZIFXOOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S.C10H14.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-8(2)10-6-4-9(3)5-7-10;/h2-11,14-16H,1H3;4-8H,1-3H3;/q-2;;+2.
What are the key properties of (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)?
(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+) has a molecular weight of 523.66 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+) is sourced from PubChem (CID 178184233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).