6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol

C8H10ClNOS — CID 83908626

IUPAC6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol
SMILESNCC1(O)CCc2cc(Cl)sc21
InChIInChI=1S/C8H10ClNOS/c9-6-3-5-1-2-8(11,4-10)7(5)12-6/h3,11H,1-2,4,10H2
InChIKeyKFYRLZXUHJYIEV-UHFFFAOYSA-N
MW203.69 g/mol
LogP1.49
Rot. Bonds1

About 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol

6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol (PubChem CID 83908626) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol.

Molecular Properties

Compound Name6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol
PubChem CID83908626
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol
SMILESNCC1(O)CCc2cc(Cl)sc21
InChIInChI=1S/C8H10ClNOS/c9-6-3-5-1-2-8(11,4-10)7(5)12-6/h3,11H,1-2,4,10H2
InChIKeyKFYRLZXUHJYIEV-UHFFFAOYSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol 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 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol?
The IUPAC name of 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol (CID 83908626) is 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol.
What is the SMILES notation for 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol?
The canonical SMILES for 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol is NCC1(O)CCc2cc(Cl)sc21.
What is the InChIKey of 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol?
The InChIKey is KFYRLZXUHJYIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c9-6-3-5-1-2-8(11,4-10)7(5)12-6/h3,11H,1-2,4,10H2.
What are the key properties of 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol?
6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol has a molecular weight of 203.69 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-chloro-4,5-dihydrocyclopenta[b]thiophen-6-ol is sourced from PubChem (CID 83908626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).