5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride

C8H12ClNS — CID 138987931

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2c(s1)CCC2
InChIInChI=1S/C8H11NS.ClH/c9-5-7-4-6-2-1-3-8(6)10-7;/h4H,1-3,5,9H2;1H
InChIKeyVLUOCYBUPTYWIT-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.12
Rot. Bonds1

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride

5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride (PubChem CID 138987931) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride
PubChem CID138987931
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2c(s1)CCC2
InChIInChI=1S/C8H11NS.ClH/c9-5-7-4-6-2-1-3-8(6)10-7;/h4H,1-3,5,9H2;1H
InChIKeyVLUOCYBUPTYWIT-UHFFFAOYSA-N
XLogP2.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride (CID 138987931) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride is Cl.NCc1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is VLUOCYBUPTYWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c9-5-7-4-6-2-1-3-8(6)10-7;/h4H,1-3,5,9H2;1H.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 138987931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).