1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine

C11H15ClN2S — CID 106033706

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CCc1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2S/c12-10-5-4-9(15-10)6-8-14-7-2-1-3-11(14)13/h4-5,13H,1-3,6-8H2/b13-11+
InChIKeyAZVZFLQDKBMZJM-ACCUITESSA-N
MW242.77 g/mol
LogP3.41
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine

1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine (PubChem CID 106033706) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine
PubChem CID106033706
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CCc1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2S/c12-10-5-4-9(15-10)6-8-14-7-2-1-3-11(14)13/h4-5,13H,1-3,6-8H2/b13-11+
InChIKeyAZVZFLQDKBMZJM-ACCUITESSA-N
XLogP3.41
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.41
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-[(5-ethylthiophen-2-yl)methyl]piperidin-2-imine
CID 106007900
1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
CID 103007506
1-(2-thiophen-3-ylethyl)pyrrolidin-2-imine
CID 61474549
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106039892
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116837824
1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
CID 62640522
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
CID 114139676
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
CID 106039908
1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine
CID 60914978
1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-imine
CID 62881665
3-(5-chlorothiophen-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 78886193
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine (CID 106033706) is 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine is [H]/N=C1\CCCCN1CCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine?
The InChIKey is AZVZFLQDKBMZJM-ACCUITESSA-N. The full InChI is InChI=1S/C11H15ClN2S/c12-10-5-4-9(15-10)6-8-14-7-2-1-3-11(14)13/h4-5,13H,1-3,6-8H2/b13-11+.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine?
1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine has a molecular weight of 242.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine is sourced from PubChem (CID 106033706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).