chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide

C24H27ClN2O2RuS+ — CID 171371308

IUPACchlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide
SMILESCS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](NCCCc1ccccc1)c1ccccc1.Cl[Ru+2]
InChIInChI=1S/C24H27N2O2S.ClH.Ru/c1-29(27,28)26-24(22-17-9-4-10-18-22)23(21-15-7-3-8-16-21)25-19-11-14-20-12-5-2-6-13-20;;/h2-10,12-13,15-18,23-25H,11,14,19H2,1H3;1H;/q-1;;+3/p-1/t23-,24-;;/m0../s1
InChIKeyOCXLTXKWNORCEG-WLKYSPGFSA-M
MW544.08 g/mol
LogP5.71
Rot. Bonds10

About chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide

chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide (PubChem CID 171371308) has the molecular formula C24H27ClN2O2RuS+ and a molecular weight of 544.08 g/mol. Its IUPAC name is chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide.

Molecular Properties

Compound Namechlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide
PubChem CID171371308
Molecular FormulaC24H27ClN2O2RuS+
Molecular Weight544.08 g/mol
Exact Mass544.05
IUPAC Namechlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide
SMILESCS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](NCCCc1ccccc1)c1ccccc1.Cl[Ru+2]
InChIInChI=1S/C24H27N2O2S.ClH.Ru/c1-29(27,28)26-24(22-17-9-4-10-18-22)23(21-15-7-3-8-16-21)25-19-11-14-20-12-5-2-6-13-20;;/h2-10,12-13,15-18,23-25H,11,14,19H2,1H3;1H;/q-1;;+3/p-1/t23-,24-;;/m0../s1
InChIKeyOCXLTXKWNORCEG-WLKYSPGFSA-M
XLogP5.71
TPSA60.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.08
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide
CID 117065244
[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride
CID 78151937
carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide
CID 162710858
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
chlororuthenium(1+);[2-(3-cyclohexylpropylamino)-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide
CID 172764505
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
CID 24808888
CID 24808888
N-[(1R,2R)-2-[3-(4-methoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 102106512
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
CID 40718580

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide?
The IUPAC name of chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide (CID 171371308) is chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide.
What is the SMILES notation for chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide?
The canonical SMILES for chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide is CS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](NCCCc1ccccc1)c1ccccc1.Cl[Ru+2].
What is the InChIKey of chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide?
The InChIKey is OCXLTXKWNORCEG-WLKYSPGFSA-M. The full InChI is InChI=1S/C24H27N2O2S.ClH.Ru/c1-29(27,28)26-24(22-17-9-4-10-18-22)23(21-15-7-3-8-16-21)25-19-11-14-20-12-5-2-6-13-20;;/h2-10,12-13,15-18,23-25H,11,14,19H2,1H3;1H;/q-1;;+3/p-1/t23-,24-;;/m0../s1.
What are the key properties of chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide?
chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide has a molecular weight of 544.08 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide is sourced from PubChem (CID 171371308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).