N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide

C7H9NOS — CID 46900872

IUPACN-methyl-1-(5-methylthiophen-2-yl)methanimine oxide
SMILESCc1ccc(/C=[N+](\C)[O-])s1
InChIInChI=1S/C7H9NOS/c1-6-3-4-7(10-6)5-8(2)9/h3-5H,1-2H3/b8-5+
InChIKeyQGMYAIUDACAJLI-VMPITWQZSA-N
MW155.22 g/mol
LogP1.62
Rot. Bonds1

About N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide

N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide (PubChem CID 46900872) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-2-yl)methanimine oxide
PubChem CID46900872
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC NameN-methyl-1-(5-methylthiophen-2-yl)methanimine oxide
SMILESCc1ccc(/C=[N+](\C)[O-])s1
InChIInChI=1S/C7H9NOS/c1-6-3-4-7(10-6)5-8(2)9/h3-5H,1-2H3/b8-5+
InChIKeyQGMYAIUDACAJLI-VMPITWQZSA-N
XLogP1.62
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide?
The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide (CID 46900872) is N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide?
The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide is Cc1ccc(/C=[N+](\C)[O-])s1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide?
The InChIKey is QGMYAIUDACAJLI-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9NOS/c1-6-3-4-7(10-6)5-8(2)9/h3-5H,1-2H3/b8-5+.
What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide?
N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide has a molecular weight of 155.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-2-yl)methanimine oxide is sourced from PubChem (CID 46900872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).