N-phenyl-1-thiophen-2-ylmethanimine oxide

C11H9NOS — CID 816698

IUPACN-phenyl-1-thiophen-2-ylmethanimine oxide
SMILES[O-]/[N+](=C\c1cccs1)c1ccccc1
InChIInChI=1S/C11H9NOS/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9H/b12-9-
InChIKeyALCZFGAZFRVSDQ-XFXZXTDPSA-N
MW203.27 g/mol
LogP3.01
Rot. Bonds2

About N-phenyl-1-thiophen-2-ylmethanimine oxide

N-phenyl-1-thiophen-2-ylmethanimine oxide (PubChem CID 816698) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is N-phenyl-1-thiophen-2-ylmethanimine oxide.

Molecular Properties

Compound NameN-phenyl-1-thiophen-2-ylmethanimine oxide
PubChem CID816698
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC NameN-phenyl-1-thiophen-2-ylmethanimine oxide
SMILES[O-]/[N+](=C\c1cccs1)c1ccccc1
InChIInChI=1S/C11H9NOS/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9H/b12-9-
InChIKeyALCZFGAZFRVSDQ-XFXZXTDPSA-N
XLogP3.01
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.01
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-phenyl-1-thiophen-2-ylmethanimine oxide?
The IUPAC name of N-phenyl-1-thiophen-2-ylmethanimine oxide (CID 816698) is N-phenyl-1-thiophen-2-ylmethanimine oxide.
What is the SMILES notation for N-phenyl-1-thiophen-2-ylmethanimine oxide?
The canonical SMILES for N-phenyl-1-thiophen-2-ylmethanimine oxide is [O-]/[N+](=C\c1cccs1)c1ccccc1.
What is the InChIKey of N-phenyl-1-thiophen-2-ylmethanimine oxide?
The InChIKey is ALCZFGAZFRVSDQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H9NOS/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h1-9H/b12-9-.
What are the key properties of N-phenyl-1-thiophen-2-ylmethanimine oxide?
N-phenyl-1-thiophen-2-ylmethanimine oxide has a molecular weight of 203.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-thiophen-2-ylmethanimine oxide is sourced from PubChem (CID 816698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).