2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine

C13H22ClN3S — CID 63603631

IUPAC2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(Cl)s2)CC1C
InChIInChI=1S/C13H22ClN3S/c1-3-16-6-7-17(9-10(16)2)11(8-15)12-4-5-13(14)18-12/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyUEPDFQZJLDYOKJ-UHFFFAOYSA-N
MW287.86 g/mol
LogP2.43
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine

2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine (PubChem CID 63603631) has the molecular formula C13H22ClN3S and a molecular weight of 287.86 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
PubChem CID63603631
Molecular FormulaC13H22ClN3S
Molecular Weight287.86 g/mol
Exact Mass287.12
IUPAC Name2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(Cl)s2)CC1C
InChIInChI=1S/C13H22ClN3S/c1-3-16-6-7-17(9-10(16)2)11(8-15)12-4-5-13(14)18-12/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyUEPDFQZJLDYOKJ-UHFFFAOYSA-N
XLogP2.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine (CID 63603631) is 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2ccc(Cl)s2)CC1C.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine?
The InChIKey is UEPDFQZJLDYOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3S/c1-3-16-6-7-17(9-10(16)2)11(8-15)12-4-5-13(14)18-12/h4-5,10-11H,3,6-9,15H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine has a molecular weight of 287.86 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63603631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).