copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate

C9H10CuNO5S — CID 174313162

IUPACcopper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate
SMILESCc1cccc(N(C)C(=O)OS(=O)(=O)[O-])c1.[Cu+]
InChIInChI=1S/C9H11NO5S.Cu/c1-7-4-3-5-8(6-7)10(2)9(11)15-16(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1
InChIKeyUXHAYPBVXXVIKP-UHFFFAOYSA-M
MW307.79 g/mol
LogP1.03
Rot. Bonds2

About copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate

copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate (PubChem CID 174313162) has the molecular formula C9H10CuNO5S and a molecular weight of 307.79 g/mol. Its IUPAC name is copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate.

Molecular Properties

Compound Namecopper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate
PubChem CID174313162
Molecular FormulaC9H10CuNO5S
Molecular Weight307.79 g/mol
Exact Mass306.96
IUPAC Namecopper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate
SMILESCc1cccc(N(C)C(=O)OS(=O)(=O)[O-])c1.[Cu+]
InChIInChI=1S/C9H11NO5S.Cu/c1-7-4-3-5-8(6-7)10(2)9(11)15-16(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1
InChIKeyUXHAYPBVXXVIKP-UHFFFAOYSA-M
XLogP1.03
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate?
The IUPAC name of copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate (CID 174313162) is copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate.
What is the SMILES notation for copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate?
The canonical SMILES for copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate is Cc1cccc(N(C)C(=O)OS(=O)(=O)[O-])c1.[Cu+].
What is the InChIKey of copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate?
The InChIKey is UXHAYPBVXXVIKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO5S.Cu/c1-7-4-3-5-8(6-7)10(2)9(11)15-16(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate?
copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate has a molecular weight of 307.79 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);[methyl-(3-methylphenyl)carbamoyl] sulfate is sourced from PubChem (CID 174313162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).