N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide

C12H11NOS — CID 717514

IUPACN-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide
SMILESCc1ccccc1/[N+]([O-])=C/c1cccs1
InChIInChI=1S/C12H11NOS/c1-10-5-2-3-7-12(10)13(14)9-11-6-4-8-15-11/h2-9H,1H3/b13-9-
InChIKeyINBVACQTUAVZCK-LCYFTJDESA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds2

About N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide

N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide (PubChem CID 717514) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide
PubChem CID717514
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC NameN-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide
SMILESCc1ccccc1/[N+]([O-])=C/c1cccs1
InChIInChI=1S/C12H11NOS/c1-10-5-2-3-7-12(10)13(14)9-11-6-4-8-15-11/h2-9H,1H3/b13-9-
InChIKeyINBVACQTUAVZCK-LCYFTJDESA-N
XLogP3.32
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.32
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-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide?
The IUPAC name of N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide (CID 717514) is N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide.
What is the SMILES notation for N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide?
The canonical SMILES for N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide is Cc1ccccc1/[N+]([O-])=C/c1cccs1.
What is the InChIKey of N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide?
The InChIKey is INBVACQTUAVZCK-LCYFTJDESA-N. The full InChI is InChI=1S/C12H11NOS/c1-10-5-2-3-7-12(10)13(14)9-11-6-4-8-15-11/h2-9H,1H3/b13-9-.
What are the key properties of N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide?
N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide has a molecular weight of 217.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-thiophen-2-ylmethanimine oxide is sourced from PubChem (CID 717514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).