N-benzyl-1-thiophen-2-ylmethanimine

C12H11NS — CID 2740077

IUPACN-benzyl-1-thiophen-2-ylmethanimine
SMILESC(=N/Cc1ccccc1)\c1cccs1
InChIInChI=1S/C12H11NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,10H,9H2/b13-10+
InChIKeyWPNVWXYVHYQHQG-JLHYYAGUSA-N
MW201.29 g/mol
LogP3.37
Rot. Bonds3

About N-benzyl-1-thiophen-2-ylmethanimine

N-benzyl-1-thiophen-2-ylmethanimine (PubChem CID 2740077) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-benzyl-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-benzyl-1-thiophen-2-ylmethanimine
PubChem CID2740077
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC NameN-benzyl-1-thiophen-2-ylmethanimine
SMILESC(=N/Cc1ccccc1)\c1cccs1
InChIInChI=1S/C12H11NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,10H,9H2/b13-10+
InChIKeyWPNVWXYVHYQHQG-JLHYYAGUSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Phenyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785938
2-Benzyl-1-hydroxythieno[2,3-d]diazaborinine
CID 58343687
N,N-Dibenzyl-N''-[1-thiophen-2-yl-meth-(E)-ylidene]-hydrazine
CID 9818018
N-[(E)-2-thienylmethylidene]-2-(trifluoromethyl)aniline
CID 318590
6,6-dimethyl-5-oxido-7H-thieno[3,2-c]pyridin-5-ium
CID 10797486
(NE)-N-[[3-[(E)-2-phenylethenyl]thiophen-2-yl]methylidene]hydroxylamine
CID 15033310
N-[(E)-2-Thienylmethylidene]-4-(trifluoromethyl)aniline
CID 2351311
N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine
CID 2739999
3-[(Methylamino)methylene]-5-phenylthiophene-2-thione
CID 3378967
N-(4-Methylphenyl)-1-thiophen-2-YL-methanimine
CID 317645
N-[(E)-thiophen-2-ylmethylidene]-3-(trifluoromethyl)aniline
CID 964584
2,3,5,6-Tetrafluoro-1,4-bis({[(thiophen-2-yl)methylidene]amino}methyl)benzene
CID 139086718

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-thiophen-2-ylmethanimine?
The IUPAC name of N-benzyl-1-thiophen-2-ylmethanimine (CID 2740077) is N-benzyl-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-benzyl-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-benzyl-1-thiophen-2-ylmethanimine is C(=N/Cc1ccccc1)\c1cccs1.
What is the InChIKey of N-benzyl-1-thiophen-2-ylmethanimine?
The InChIKey is WPNVWXYVHYQHQG-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H11NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,10H,9H2/b13-10+.
What are the key properties of N-benzyl-1-thiophen-2-ylmethanimine?
N-benzyl-1-thiophen-2-ylmethanimine has a molecular weight of 201.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 2740077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).