1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine

C9H12BrNS — CID 83912924

IUPAC1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine
SMILESCNCC1CCc2cc(Br)sc21
InChIInChI=1S/C9H12BrNS/c1-11-5-7-3-2-6-4-8(10)12-9(6)7/h4,7,11H,2-3,5H2,1H3
InChIKeyJHJIPIFVOILOBL-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.76
Rot. Bonds2

About 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine

1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine (PubChem CID 83912924) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine
PubChem CID83912924
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine
SMILESCNCC1CCc2cc(Br)sc21
InChIInChI=1S/C9H12BrNS/c1-11-5-7-3-2-6-4-8(10)12-9(6)7/h4,7,11H,2-3,5H2,1H3
InChIKeyJHJIPIFVOILOBL-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine 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 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine (CID 83912924) is 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine is CNCC1CCc2cc(Br)sc21.
What is the InChIKey of 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine?
The InChIKey is JHJIPIFVOILOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-11-5-7-3-2-6-4-8(10)12-9(6)7/h4,7,11H,2-3,5H2,1H3.
What are the key properties of 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine?
1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine has a molecular weight of 246.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl)-N-methylmethanamine is sourced from PubChem (CID 83912924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).