2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride

C9H14ClNS — CID 155389072

IUPAC2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride
SMILESCCc1sc2c(c1N)CCC2.Cl
InChIInChI=1S/C9H13NS.ClH/c1-2-7-9(10)6-4-3-5-8(6)11-7;/h2-5,10H2,1H3;1H
InChIKeyZRDULJCATUKYNO-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.80
Rot. Bonds1

About 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride

2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride (PubChem CID 155389072) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride
PubChem CID155389072
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride
SMILESCCc1sc2c(c1N)CCC2.Cl
InChIInChI=1S/C9H13NS.ClH/c1-2-7-9(10)6-4-3-5-8(6)11-7;/h2-5,10H2,1H3;1H
InChIKeyZRDULJCATUKYNO-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride?
The IUPAC name of 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride (CID 155389072) is 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride?
The canonical SMILES for 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride is CCc1sc2c(c1N)CCC2.Cl.
What is the InChIKey of 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride?
The InChIKey is ZRDULJCATUKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-2-7-9(10)6-4-3-5-8(6)11-7;/h2-5,10H2,1H3;1H.
What are the key properties of 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride?
2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine;hydrochloride is sourced from PubChem (CID 155389072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).