N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine

C12H11NS3 — CID 80711429

IUPACN-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(CNCc2cc3sccc3s2)c1
InChIInChI=1S/C12H11NS3/c1-2-9(14-4-1)7-13-8-10-6-12-11(16-10)3-5-15-12/h1-6,13H,7-8H2
InChIKeyNOIFHDRAGPEGDE-UHFFFAOYSA-N
MW265.43 g/mol
LogP4.31
Rot. Bonds4

About N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine

N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 80711429) has the molecular formula C12H11NS3 and a molecular weight of 265.43 g/mol. Its IUPAC name is N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID80711429
Molecular FormulaC12H11NS3
Molecular Weight265.43 g/mol
Exact Mass265.01
IUPAC NameN-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(CNCc2cc3sccc3s2)c1
InChIInChI=1S/C12H11NS3/c1-2-9(14-4-1)7-13-8-10-6-12-11(16-10)3-5-15-12/h1-6,13H,7-8H2
InChIKeyNOIFHDRAGPEGDE-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine 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 N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine (CID 80711429) is N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine is c1csc(CNCc2cc3sccc3s2)c1.
What is the InChIKey of N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is NOIFHDRAGPEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS3/c1-2-9(14-4-1)7-13-8-10-6-12-11(16-10)3-5-15-12/h1-6,13H,7-8H2.
What are the key properties of N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine?
N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 265.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thieno[3,2-b]thiophen-5-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 80711429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).