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

C8H11NOS — CID 55269075

IUPAC4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol
SMILESNCC1(O)CCc2sccc21
InChIInChI=1S/C8H11NOS/c9-5-8(10)3-1-7-6(8)2-4-11-7/h2,4,10H,1,3,5,9H2
InChIKeyJVOFKMBHTNEKPY-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.84
Rot. Bonds1

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

4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol (PubChem CID 55269075) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol
PubChem CID55269075
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol
SMILESNCC1(O)CCc2sccc21
InChIInChI=1S/C8H11NOS/c9-5-8(10)3-1-7-6(8)2-4-11-7/h2,4,10H,1,3,5,9H2
InChIKeyJVOFKMBHTNEKPY-UHFFFAOYSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol?
The IUPAC name of 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol (CID 55269075) is 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol.
What is the SMILES notation for 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol?
The canonical SMILES for 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol is NCC1(O)CCc2sccc21.
What is the InChIKey of 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol?
The InChIKey is JVOFKMBHTNEKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c9-5-8(10)3-1-7-6(8)2-4-11-7/h2,4,10H,1,3,5,9H2.
What are the key properties of 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol?
4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol has a molecular weight of 169.25 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,6-dihydrocyclopenta[b]thiophen-4-ol is sourced from PubChem (CID 55269075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).