[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)

C14H21ClN2O2RuS — CID 134945731

IUPAC[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
SMILESCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2[NH-])cc1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C13H18N2O2S.CH3.ClH.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;;;/h6-9,12-14H,2-5H2,1H3;1H3;1H;/q-2;-1;;+4/p-1/t12-,13-;;;/m0.../s1
InChIKeyMNJDHZWQGCAGHN-SQWZUNHGSA-M
MW417.92 g/mol
LogP4.56
Rot. Bonds3

About [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)

[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) (PubChem CID 134945731) has the molecular formula C14H21ClN2O2RuS and a molecular weight of 417.92 g/mol. Its IUPAC name is [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+).

Molecular Properties

Compound Name[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
PubChem CID134945731
Molecular FormulaC14H21ClN2O2RuS
Molecular Weight417.92 g/mol
Exact Mass418.01
IUPAC Name[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
SMILESCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2[NH-])cc1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C13H18N2O2S.CH3.ClH.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;;;/h6-9,12-14H,2-5H2,1H3;1H3;1H;/q-2;-1;;+4/p-1/t12-,13-;;;/m0.../s1
InChIKeyMNJDHZWQGCAGHN-SQWZUNHGSA-M
XLogP4.56
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10506627
CID 10506627
carbanide;bis(chlororuthenium(3+));(4-methylphenyl)sulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide;methylsulfonyl-[2-(3-phenylpropylamino)cyclohexyl]azanide
CID 158980027
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
aluminum;benzenesulfonyl-[(1R,2R)-2-(benzenesulfonylazanidyl)cyclohexyl]azanide;2-methanidylpropane
CID 11027187
2-(4-methylphenyl)sulfonylpiperidine
CID 117036507
azanidacycloheptan-2-ol;bromo-(4-methylphenyl)sulfonylazanide;carbanide;bis(rhodium)
CID 58711053
1-azoniabicyclo[2.2.2]octan-1-yl 4-methylbenzenesulfonate
CID 87568143
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457
N-methyl-3-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 64716296
1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene
CID 12556444

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)?
The IUPAC name of [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) (CID 134945731) is [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+).
What is the SMILES notation for [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)?
The canonical SMILES for [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) is Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2[NH-])cc1.Cl[Ru+3].[CH3-].
What is the InChIKey of [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)?
The InChIKey is MNJDHZWQGCAGHN-SQWZUNHGSA-M. The full InChI is InChI=1S/C13H18N2O2S.CH3.ClH.Ru/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14;;;/h6-9,12-14H,2-5H2,1H3;1H3;1H;/q-2;-1;;+4/p-1/t12-,13-;;;/m0.../s1.
What are the key properties of [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)?
[(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) has a molecular weight of 417.92 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-azanidylcyclohexyl]-(4-methylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+) is sourced from PubChem (CID 134945731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).