N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine

C13H21ClN2S — CID 113260642

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H21ClN2S/c1-2-16-9-6-11(7-10-16)15-8-5-12-3-4-13(14)17-12/h3-4,11,15H,2,5-10H2,1H3
InChIKeyAJCSAFVFFMDPGO-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine (PubChem CID 113260642) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
PubChem CID113260642
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H21ClN2S/c1-2-16-9-6-11(7-10-16)15-8-5-12-3-4-13(14)17-12/h3-4,11,15H,2,5-10H2,1H3
InChIKeyAJCSAFVFFMDPGO-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923162
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 30963137
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 106041165
4-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]phenol
CID 61239241
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine (CID 113260642) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine is CCN1CCC(NCCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine?
The InChIKey is AJCSAFVFFMDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-2-16-9-6-11(7-10-16)15-8-5-12-3-4-13(14)17-12/h3-4,11,15H,2,5-10H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine has a molecular weight of 272.84 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 113260642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).