1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine

C12H18N2S — CID 106007900

IUPAC1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1Cc1ccc(CC)s1
InChIInChI=1S/C12H18N2S/c1-2-10-6-7-11(15-10)9-14-8-4-3-5-12(14)13/h6-7,13H,2-5,8-9H2,1H3/b13-12+
InChIKeyZYMXZCKANFJSDO-OUKQBFOZSA-N
MW222.36 g/mol
LogP3.27
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine

1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine (PubChem CID 106007900) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine
PubChem CID106007900
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1Cc1ccc(CC)s1
InChIInChI=1S/C12H18N2S/c1-2-10-6-7-11(15-10)9-14-8-4-3-5-12(14)13/h6-7,13H,2-5,8-9H2,1H3/b13-12+
InChIKeyZYMXZCKANFJSDO-OUKQBFOZSA-N
XLogP3.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine
CID 106033706
1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-imine
CID 62307701
1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine
CID 62881665
1-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2,4-dione
CID 106007747
2,5-diethylthiophene
CID 521294
10-[(5-ethylthiophen-2-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882245
1-[2-(3-methylphenyl)ethyl]piperidin-2-imine
CID 62314831
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337680
1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine
CID 130778886
1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
CID 43227597
1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 24704411
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
CID 63386907

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine (CID 106007900) is 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine is [H]/N=C1\CCCCN1Cc1ccc(CC)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine?
The InChIKey is ZYMXZCKANFJSDO-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-10-6-7-11(15-10)9-14-8-4-3-5-12(14)13/h6-7,13H,2-5,8-9H2,1H3/b13-12+.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine?
1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine has a molecular weight of 222.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine is sourced from PubChem (CID 106007900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).