2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

C16H20ClNS2 — CID 106041995

IUPAC2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESClc1ccc(CCNC(c2cccs2)C2CCCC2)s1
InChIInChI=1S/C16H20ClNS2/c17-15-8-7-13(20-15)9-10-18-16(12-4-1-2-5-12)14-6-3-11-19-14/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2
InChIKeyMJMZXMDRWJRRPS-UHFFFAOYSA-N
MW325.93 g/mol
LogP5.53
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (PubChem CID 106041995) has the molecular formula C16H20ClNS2 and a molecular weight of 325.93 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
PubChem CID106041995
Molecular FormulaC16H20ClNS2
Molecular Weight325.93 g/mol
Exact Mass325.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESClc1ccc(CCNC(c2cccs2)C2CCCC2)s1
InChIInChI=1S/C16H20ClNS2/c17-15-8-7-13(20-15)9-10-18-16(12-4-1-2-5-12)14-6-3-11-19-14/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2
InChIKeyMJMZXMDRWJRRPS-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.93
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]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)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (CID 106041995) is 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is Clc1ccc(CCNC(c2cccs2)C2CCCC2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is MJMZXMDRWJRRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS2/c17-15-8-7-13(20-15)9-10-18-16(12-4-1-2-5-12)14-6-3-11-19-14/h3,6-8,11-12,16,18H,1-2,4-5,9-10H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 325.93 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 106041995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).