N-methyl-1-thiophen-2-ylmethanimine

C6H7NS — CID 11062388

IUPACN-methyl-1-thiophen-2-ylmethanimine
SMILESC/N=C/c1cccs1
InChIInChI=1S/C6H7NS/c1-7-5-6-3-2-4-8-6/h2-5H,1H3/b7-5+
InChIKeyZQGPYOVFQBRJTM-FNORWQNLSA-N
MW125.20 g/mol
LogP1.80
Rot. Bonds1

About N-methyl-1-thiophen-2-ylmethanimine

N-methyl-1-thiophen-2-ylmethanimine (PubChem CID 11062388) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-ylmethanimine
PubChem CID11062388
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC NameN-methyl-1-thiophen-2-ylmethanimine
SMILESC/N=C/c1cccs1
InChIInChI=1S/C6H7NS/c1-7-5-6-3-2-4-8-6/h2-5H,1H3/b7-5+
InChIKeyZQGPYOVFQBRJTM-FNORWQNLSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.80
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-methyl-1-thiophen-2-ylmethanimine?
The IUPAC name of N-methyl-1-thiophen-2-ylmethanimine (CID 11062388) is N-methyl-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-methyl-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-methyl-1-thiophen-2-ylmethanimine is C/N=C/c1cccs1.
What is the InChIKey of N-methyl-1-thiophen-2-ylmethanimine?
The InChIKey is ZQGPYOVFQBRJTM-FNORWQNLSA-N. The full InChI is InChI=1S/C6H7NS/c1-7-5-6-3-2-4-8-6/h2-5H,1H3/b7-5+.
What are the key properties of N-methyl-1-thiophen-2-ylmethanimine?
N-methyl-1-thiophen-2-ylmethanimine has a molecular weight of 125.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 11062388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).