copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)

C18H26CuN4O4S2 — CID 139070893

IUPACcopper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)
SMILESCc1ccc(S(=O)(=O)[N-]CCN)cc1.Cc1ccc(S(=O)(=O)[N-]CCN)cc1.[Cu+2]
InChIInChI=1S/2C9H13N2O2S.Cu/c2*1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;/h2*2-5H,6-7,10H2,1H3;/q2*-1;+2
InChIKeyCSHXSKKSUIZOKK-UHFFFAOYSA-N
MW490.11 g/mol
LogP2.03
Rot. Bonds8

About copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)

copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide) (PubChem CID 139070893) has the molecular formula C18H26CuN4O4S2 and a molecular weight of 490.11 g/mol. Its IUPAC name is copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide).

Molecular Properties

Compound Namecopper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)
PubChem CID139070893
Molecular FormulaC18H26CuN4O4S2
Molecular Weight490.11 g/mol
Exact Mass489.07
IUPAC Namecopper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)
SMILESCc1ccc(S(=O)(=O)[N-]CCN)cc1.Cc1ccc(S(=O)(=O)[N-]CCN)cc1.[Cu+2]
InChIInChI=1S/2C9H13N2O2S.Cu/c2*1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;/h2*2-5H,6-7,10H2,1H3;/q2*-1;+2
InChIKeyCSHXSKKSUIZOKK-UHFFFAOYSA-N
XLogP2.03
TPSA148.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.11
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium
CID 144771535
lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide
CID 134872083
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
dibutyltin(2+);2-(4-methylphenyl)sulfonylazanidylethanethiolate
CID 15978270
gold(3+);2-(4-methylbenzene-6-id-1-yl)pyridine;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylethyl]azanide
CID 54679768
sodium;2-aminoethanethiol;4-methylbenzenesulfonate
CID 175141667
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
3-(4-methylphenyl)sulfonylsulfanylpropan-1-amine;hydrochloride
CID 156897308

Frequently Asked Questions

What is the IUPAC name of copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)?
The IUPAC name of copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide) (CID 139070893) is copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide).
What is the SMILES notation for copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)?
The canonical SMILES for copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide) is Cc1ccc(S(=O)(=O)[N-]CCN)cc1.Cc1ccc(S(=O)(=O)[N-]CCN)cc1.[Cu+2].
What is the InChIKey of copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)?
The InChIKey is CSHXSKKSUIZOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13N2O2S.Cu/c2*1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;/h2*2-5H,6-7,10H2,1H3;/q2*-1;+2.
What are the key properties of copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide)?
copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide) has a molecular weight of 490.11 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-aminoethyl-(4-methylphenyl)sulfonylazanide) is sourced from PubChem (CID 139070893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).