N-(3-methylphenyl)-1-thiophen-2-ylmethanimine

C12H11NS — CID 13481551

IUPACN-(3-methylphenyl)-1-thiophen-2-ylmethanimine
SMILESCc1cccc(/N=C/c2cccs2)c1
InChIInChI=1S/C12H11NS/c1-10-4-2-5-11(8-10)13-9-12-6-3-7-14-12/h2-9H,1H3/b13-9+
InChIKeyAQWMQNMSQAJUOK-UKTHLTGXSA-N
MW201.29 g/mol
LogP3.81
Rot. Bonds2

About N-(3-methylphenyl)-1-thiophen-2-ylmethanimine

N-(3-methylphenyl)-1-thiophen-2-ylmethanimine (PubChem CID 13481551) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-thiophen-2-ylmethanimine
PubChem CID13481551
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC NameN-(3-methylphenyl)-1-thiophen-2-ylmethanimine
SMILESCc1cccc(/N=C/c2cccs2)c1
InChIInChI=1S/C12H11NS/c1-10-4-2-5-11(8-10)13-9-12-6-3-7-14-12/h2-9H,1H3/b13-9+
InChIKeyAQWMQNMSQAJUOK-UKTHLTGXSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(3-methylphenyl)-1-thiophen-2-ylmethanimine (CID 13481551) is N-(3-methylphenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(3-methylphenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(3-methylphenyl)-1-thiophen-2-ylmethanimine is Cc1cccc(/N=C/c2cccs2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is AQWMQNMSQAJUOK-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NS/c1-10-4-2-5-11(8-10)13-9-12-6-3-7-14-12/h2-9H,1H3/b13-9+.
What are the key properties of N-(3-methylphenyl)-1-thiophen-2-ylmethanimine?
N-(3-methylphenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 201.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 13481551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).