(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

C11H17NS — CID 153342696

IUPAC(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESCC/N=C1\C=CS\C1=C(\C)C(C)C
InChIInChI=1S/C11H17NS/c1-5-12-10-6-7-13-11(10)9(4)8(2)3/h6-8H,5H2,1-4H3/b11-9-,12-10+
InChIKeyAAQYROWGKKXGFA-DSOJMZEYSA-N
MW195.33 g/mol
LogP3.64
Rot. Bonds2

About (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (PubChem CID 153342696) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
PubChem CID153342696
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESCC/N=C1\C=CS\C1=C(\C)C(C)C
InChIInChI=1S/C11H17NS/c1-5-12-10-6-7-13-11(10)9(4)8(2)3/h6-8H,5H2,1-4H3/b11-9-,12-10+
InChIKeyAAQYROWGKKXGFA-DSOJMZEYSA-N
XLogP3.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine with MolForge

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Related Compounds

4-tert-butyl-5-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-2H-pyrrole
CID 58263805
4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethenyl]-2H-pyrrole
CID 76749636
6,7-dimethyl-7H-thieno[3,2-b]azepine
CID 123404675
6,7-dimethyl-6,7-dihydro-5H-thieno[3,2-b]azepine
CID 123639444
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 153342639
ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342777
(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342778
(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
CID 163710913
7-Methyl-5,6-dihydrothieno[3,2-b]pyridine
CID 167152890
(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170593162
(2Z)-N-ethenyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170732057

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The IUPAC name of (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (CID 153342696) is (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.
What is the SMILES notation for (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The canonical SMILES for (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is CC/N=C1\C=CS\C1=C(\C)C(C)C.
What is the InChIKey of (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The InChIKey is AAQYROWGKKXGFA-DSOJMZEYSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-12-10-6-7-13-11(10)9(4)8(2)3/h6-8H,5H2,1-4H3/b11-9-,12-10+.
What are the key properties of (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine has a molecular weight of 195.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is sourced from PubChem (CID 153342696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).