carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide

C40H60Cl2N4O4Ru2S2+2 — CID 158980027

IUPACcarbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide
SMILESCS(=O)(=O)[N-]C1CCCCC1NCCCc1ccccc1.Cc1ccc(S(=O)(=O)[N-]C2CCCCC2NCCCc2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].[CH3-].[CH3-]
InChIInChI=1S/C22H29N2O2S.C16H25N2O2S.2CH3.2ClH.2Ru/c1-18-13-15-20(16-14-18)27(25,26)24-22-12-6-5-11-21(22)23-17-7-10-19-8-3-2-4-9-19;1-21(19,20)18-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14;;;;;;/h2-4,8-9,13-16,21-23H,5-7,10-12,17H2,1H3;2-4,8-9,15-17H,5-7,10-13H2,1H3;2*1H3;2*1H;;/q4*-1;;;2*+4/p-2
InChIKeyALBRZCITEZKEFQ-UHFFFAOYSA-L
MW998.12 g/mol
LogP9.72
Rot. Bonds15

About carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide

carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide (PubChem CID 158980027) has the molecular formula C40H60Cl2N4O4Ru2S2+2 and a molecular weight of 998.12 g/mol. Its IUPAC name is carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide.

Molecular Properties

Compound Namecarbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide
PubChem CID158980027
Molecular FormulaC40H60Cl2N4O4Ru2S2+2
Molecular Weight998.12 g/mol
Exact Mass998.15
IUPAC Namecarbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide
SMILESCS(=O)(=O)[N-]C1CCCCC1NCCCc1ccccc1.Cc1ccc(S(=O)(=O)[N-]C2CCCCC2NCCCc2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].[CH3-].[CH3-]
InChIInChI=1S/C22H29N2O2S.C16H25N2O2S.2CH3.2ClH.2Ru/c1-18-13-15-20(16-14-18)27(25,26)24-22-12-6-5-11-21(22)23-17-7-10-19-8-3-2-4-9-19;1-21(19,20)18-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14;;;;;;/h2-4,8-9,13-16,21-23H,5-7,10-12,17H2,1H3;2-4,8-9,15-17H,5-7,10-13H2,1H3;2*1H3;2*1H;;/q4*-1;;;2*+4/p-2
InChIKeyALBRZCITEZKEFQ-UHFFFAOYSA-L
XLogP9.72
TPSA120.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.12
LogP ≤ 59.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
CID 140580794
[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
CID 134945731
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
CID 10506627
CID 10506627
2-(3-phenylpropylamino)cyclohexane-1-carbonitrile
CID 62742230
chlororuthenium(2+);[(1S,2S)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide
CID 117065244
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
[1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);chloride
CID 78151937
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
aluminum;benzenesulfonyl-[(1R,2R)-2-(benzenesulfonylazanidyl)cyclohexyl]azanide;2-methanidylpropane
CID 11027187
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-[(1R,2R)-2-(3-cyclohexa-1,4-dien-1-ylpropylamino)cyclohexyl]-4-methylbenzenesulfonamide
CID 102521736

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide?
The IUPAC name of carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide (CID 158980027) is carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide.
What is the SMILES notation for carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide?
The canonical SMILES for carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide is CS(=O)(=O)[N-]C1CCCCC1NCCCc1ccccc1.Cc1ccc(S(=O)(=O)[N-]C2CCCCC2NCCCc2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].[CH3-].[CH3-].
What is the InChIKey of carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide?
The InChIKey is ALBRZCITEZKEFQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H29N2O2S.C16H25N2O2S.2CH3.2ClH.2Ru/c1-18-13-15-20(16-14-18)27(25,26)24-22-12-6-5-11-21(22)23-17-7-10-19-8-3-2-4-9-19;1-21(19,20)18-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14;;;;;;/h2-4,8-9,13-16,21-23H,5-7,10-12,17H2,1H3;2-4,8-9,15-17H,5-7,10-13H2,1H3;2*1H3;2*1H;;/q4*-1;;;2*+4/p-2.
What are the key properties of carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide?
carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide has a molecular weight of 998.12 g/mol, XLogP of 9.72, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide is sourced from PubChem (CID 158980027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).