copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid

C9H15CuNO3S — CID 88609836

IUPACcopper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid
SMILESCC1C=CC=CN1CCCS(=O)(=O)O.[Cu]
InChIInChI=1S/C9H15NO3S.Cu/c1-9-5-2-3-6-10(9)7-4-8-14(11,12)13;/h2-3,5-6,9H,4,7-8H2,1H3,(H,11,12,13);
InChIKeyURAHVIQGXMPBAN-UHFFFAOYSA-N
MW280.84 g/mol
LogP1.04
Rot. Bonds4

About copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid

copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid (PubChem CID 88609836) has the molecular formula C9H15CuNO3S and a molecular weight of 280.84 g/mol. Its IUPAC name is copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid.

Molecular Properties

Compound Namecopper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid
PubChem CID88609836
Molecular FormulaC9H15CuNO3S
Molecular Weight280.84 g/mol
Exact Mass280.01
IUPAC Namecopper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid
SMILESCC1C=CC=CN1CCCS(=O)(=O)O.[Cu]
InChIInChI=1S/C9H15NO3S.Cu/c1-9-5-2-3-6-10(9)7-4-8-14(11,12)13;/h2-3,5-6,9H,4,7-8H2,1H3,(H,11,12,13);
InChIKeyURAHVIQGXMPBAN-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid?
The IUPAC name of copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid (CID 88609836) is copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid.
What is the SMILES notation for copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid?
The canonical SMILES for copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid is CC1C=CC=CN1CCCS(=O)(=O)O.[Cu].
What is the InChIKey of copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid?
The InChIKey is URAHVIQGXMPBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S.Cu/c1-9-5-2-3-6-10(9)7-4-8-14(11,12)13;/h2-3,5-6,9H,4,7-8H2,1H3,(H,11,12,13);.
What are the key properties of copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid?
copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid has a molecular weight of 280.84 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3-(2-methyl-2H-pyridin-1-yl)propane-1-sulfonic acid is sourced from PubChem (CID 88609836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).