1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine

C11H15ClN2S — CID 84801863

IUPAC1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine
SMILESClc1c(N2CCNCC2)sc2c1CCC2
InChIInChI=1S/C11H15ClN2S/c12-10-8-2-1-3-9(8)15-11(10)14-6-4-13-5-7-14/h13H,1-7H2
InChIKeyQWZSWBNGOKMFDX-UHFFFAOYSA-N
MW242.77 g/mol
LogP2.30
Rot. Bonds1

About 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine

1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine (PubChem CID 84801863) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine
PubChem CID84801863
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine
SMILESClc1c(N2CCNCC2)sc2c1CCC2
InChIInChI=1S/C11H15ClN2S/c12-10-8-2-1-3-9(8)15-11(10)14-6-4-13-5-7-14/h13H,1-7H2
InChIKeyQWZSWBNGOKMFDX-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine?
The IUPAC name of 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine (CID 84801863) is 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine.
What is the SMILES notation for 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine?
The canonical SMILES for 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine is Clc1c(N2CCNCC2)sc2c1CCC2.
What is the InChIKey of 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine?
The InChIKey is QWZSWBNGOKMFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c12-10-8-2-1-3-9(8)15-11(10)14-6-4-13-5-7-14/h13H,1-7H2.
What are the key properties of 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine?
1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine has a molecular weight of 242.77 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazine is sourced from PubChem (CID 84801863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).