thiophen-3-yl cyclopentanecarboxylate

C10H12O2S — CID 70344436

IUPACthiophen-3-yl cyclopentanecarboxylate
SMILESO=C(Oc1ccsc1)C1CCCC1
InChIInChI=1S/C10H12O2S/c11-10(8-3-1-2-4-8)12-9-5-6-13-7-9/h5-8H,1-4H2
InChIKeyAWPYILBQRQKFTQ-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.84
Rot. Bonds2

About thiophen-3-yl cyclopentanecarboxylate

thiophen-3-yl cyclopentanecarboxylate (PubChem CID 70344436) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is thiophen-3-yl cyclopentanecarboxylate.

Molecular Properties

Compound Namethiophen-3-yl cyclopentanecarboxylate
PubChem CID70344436
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Namethiophen-3-yl cyclopentanecarboxylate
SMILESO=C(Oc1ccsc1)C1CCCC1
InChIInChI=1S/C10H12O2S/c11-10(8-3-1-2-4-8)12-9-5-6-13-7-9/h5-8H,1-4H2
InChIKeyAWPYILBQRQKFTQ-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl cyclopentanecarboxylate?
The IUPAC name of thiophen-3-yl cyclopentanecarboxylate (CID 70344436) is thiophen-3-yl cyclopentanecarboxylate.
What is the SMILES notation for thiophen-3-yl cyclopentanecarboxylate?
The canonical SMILES for thiophen-3-yl cyclopentanecarboxylate is O=C(Oc1ccsc1)C1CCCC1.
What is the InChIKey of thiophen-3-yl cyclopentanecarboxylate?
The InChIKey is AWPYILBQRQKFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c11-10(8-3-1-2-4-8)12-9-5-6-13-7-9/h5-8H,1-4H2.
What are the key properties of thiophen-3-yl cyclopentanecarboxylate?
thiophen-3-yl cyclopentanecarboxylate has a molecular weight of 196.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl cyclopentanecarboxylate is sourced from PubChem (CID 70344436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).