carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide

C25H29ClN2O2RuS — CID 162710858

IUPACcarbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide
SMILESCS(=O)(=O)[N-][C@H](c1ccccc1)C([N-]CCCc1ccccc1)c1ccccc1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C24H26N2O2S.CH3.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;;;/h2-10,12-13,15-18,23-24H,11,14,19H2,1H3;1H3;1H;/q-2;-1;;+4/p-1/t23?,24-;;;/m1.../s1
InChIKeyXIHLLVYRDOTLIC-DJKBSXQJSA-M
MW558.11 g/mol
LogP6.95
Rot. Bonds10

About carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide

carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide (PubChem CID 162710858) has the molecular formula C25H29ClN2O2RuS and a molecular weight of 558.11 g/mol. Its IUPAC name is carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide.

Molecular Properties

Compound Namecarbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide
PubChem CID162710858
Molecular FormulaC25H29ClN2O2RuS
Molecular Weight558.11 g/mol
Exact Mass558.07
IUPAC Namecarbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide
SMILESCS(=O)(=O)[N-][C@H](c1ccccc1)C([N-]CCCc1ccccc1)c1ccccc1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C24H26N2O2S.CH3.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;;;/h2-10,12-13,15-18,23-24H,11,14,19H2,1H3;1H3;1H;/q-2;-1;;+4/p-1/t23?,24-;;;/m1.../s1
InChIKeyXIHLLVYRDOTLIC-DJKBSXQJSA-M
XLogP6.95
TPSA62.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.11
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-methylsulfonylazanide
CID 171371308
CID 56928567
CID 56928567
CID 24808888
CID 24808888
[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-methylsulfonylazanide;carbanide;iridium;trifluoromethanesulfonate
CID 134940314
(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 131841385
(2-azanidyl-1,2-diphenylethyl)-[(3-tert-butylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537316
(2-azanidyl-1,2-diphenylethyl)-[[3,5-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537399
(2-azanidyl-1,2-diphenylethyl)-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537294
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537286
chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide
CID 117065244
(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)
CID 178184233

Frequently Asked Questions

What is the IUPAC name of carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide?
The IUPAC name of carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide (CID 162710858) is carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide.
What is the SMILES notation for carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide?
The canonical SMILES for carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide is CS(=O)(=O)[N-][C@H](c1ccccc1)C([N-]CCCc1ccccc1)c1ccccc1.Cl[Ru+3].[CH3-].
What is the InChIKey of carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide?
The InChIKey is XIHLLVYRDOTLIC-DJKBSXQJSA-M. The full InChI is InChI=1S/C24H26N2O2S.CH3.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;;;/h2-10,12-13,15-18,23-24H,11,14,19H2,1H3;1H3;1H;/q-2;-1;;+4/p-1/t23?,24-;;;/m1.../s1.
What are the key properties of carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide?
carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide has a molecular weight of 558.11 g/mol, XLogP of 6.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlororuthenium(3+);[(1R)-1,2-diphenyl-2-(3-phenylpropylazanidyl)ethyl]-methylsulfonylazanide is sourced from PubChem (CID 162710858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).