[(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate

C11H10N2O3S — CID 118511287

IUPAC[(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate
SMILESN#CC1CC/C1=N/OS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10N2O3S/c12-8-9-6-7-11(9)13-16-17(14,15)10-4-2-1-3-5-10/h1-5,9H,6-7H2/b13-11-
InChIKeyKJMIEPROJYAMEU-QBFSEMIESA-N
MW250.28 g/mol
LogP1.68
Rot. Bonds3

About [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate

[(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate (PubChem CID 118511287) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate.

Molecular Properties

Compound Name[(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate
PubChem CID118511287
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name[(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate
SMILESN#CC1CC/C1=N/OS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10N2O3S/c12-8-9-6-7-11(9)13-16-17(14,15)10-4-2-1-3-5-10/h1-5,9H,6-7H2/b13-11-
InChIKeyKJMIEPROJYAMEU-QBFSEMIESA-N
XLogP1.68
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate?
The IUPAC name of [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate (CID 118511287) is [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate.
What is the SMILES notation for [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate?
The canonical SMILES for [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate is N#CC1CC/C1=N/OS(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate?
The InChIKey is KJMIEPROJYAMEU-QBFSEMIESA-N. The full InChI is InChI=1S/C11H10N2O3S/c12-8-9-6-7-11(9)13-16-17(14,15)10-4-2-1-3-5-10/h1-5,9H,6-7H2/b13-11-.
What are the key properties of [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate?
[(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate has a molecular weight of 250.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-cyanocyclobutylidene)amino] benzenesulfonate is sourced from PubChem (CID 118511287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).