(1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine

C19H19NO3S — CID 87949019

IUPAC(1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine
SMILESCON=C1CCc2ccccc2/C1=C\c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H19NO3S/c1-23-20-19-12-9-15-5-3-4-6-17(15)18(19)13-14-7-10-16(11-8-14)24(2,21)22/h3-8,10-11,13H,9,12H2,1-2H3/b18-13+,20-19?
InChIKeyGHCOTOYAIABFGZ-AHNDQWALSA-N
MW341.43 g/mol
LogP3.58
Rot. Bonds3

About (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine

(1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine (PubChem CID 87949019) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine.

Molecular Properties

Compound Name(1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine
PubChem CID87949019
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name(1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine
SMILESCON=C1CCc2ccccc2/C1=C\c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H19NO3S/c1-23-20-19-12-9-15-5-3-4-6-17(15)18(19)13-14-7-10-16(11-8-14)24(2,21)22/h3-8,10-11,13H,9,12H2,1-2H3/b18-13+,20-19?
InChIKeyGHCOTOYAIABFGZ-AHNDQWALSA-N
XLogP3.58
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine?
The IUPAC name of (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine (CID 87949019) is (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine.
What is the SMILES notation for (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine?
The canonical SMILES for (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine is CON=C1CCc2ccccc2/C1=C\c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine?
The InChIKey is GHCOTOYAIABFGZ-AHNDQWALSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-23-20-19-12-9-15-5-3-4-6-17(15)18(19)13-14-7-10-16(11-8-14)24(2,21)22/h3-8,10-11,13H,9,12H2,1-2H3/b18-13+,20-19?.
What are the key properties of (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine?
(1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine has a molecular weight of 341.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine is sourced from PubChem (CID 87949019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).