imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium

C15H17N2O6S+ — CID 6367248

IUPACimino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium
SMILESCOCCOCCOS(=O)(=O)c1cccc2c1C=CC(=[N+]=N)C2=O
InChIInChI=1S/C15H17N2O6S/c1-21-7-8-22-9-10-23-24(19,20)14-4-2-3-12-11(14)5-6-13(17-16)15(12)18/h2-6,16H,7-10H2,1H3/q+1
InChIKeyWPKFZOAGILKDHC-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.94
Rot. Bonds8

About imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium

imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium (PubChem CID 6367248) has the molecular formula C15H17N2O6S+ and a molecular weight of 353.38 g/mol. Its IUPAC name is imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium.

Molecular Properties

Compound Nameimino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium
PubChem CID6367248
Molecular FormulaC15H17N2O6S+
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Nameimino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium
SMILESCOCCOCCOS(=O)(=O)c1cccc2c1C=CC(=[N+]=N)C2=O
InChIInChI=1S/C15H17N2O6S/c1-21-7-8-22-9-10-23-24(19,20)14-4-2-3-12-11(14)5-6-13(17-16)15(12)18/h2-6,16H,7-10H2,1H3/q+1
InChIKeyWPKFZOAGILKDHC-UHFFFAOYSA-N
XLogP0.94
TPSA116.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium?
The IUPAC name of imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium (CID 6367248) is imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium.
What is the SMILES notation for imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium?
The canonical SMILES for imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium is COCCOCCOS(=O)(=O)c1cccc2c1C=CC(=[N+]=N)C2=O.
What is the InChIKey of imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium?
The InChIKey is WPKFZOAGILKDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2O6S/c1-21-7-8-22-9-10-23-24(19,20)14-4-2-3-12-11(14)5-6-13(17-16)15(12)18/h2-6,16H,7-10H2,1H3/q+1.
What are the key properties of imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium?
imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium has a molecular weight of 353.38 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[5-[2-(2-methoxyethoxy)ethoxysulfonyl]-1-oxonaphthalen-2-ylidene]azanium is sourced from PubChem (CID 6367248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).