ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate

C12H20O2S — CID 90221677

IUPACethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC1C1CCCS1
InChIInChI=1S/C12H20O2S/c1-2-14-12(13)10-6-3-5-9(10)11-7-4-8-15-11/h9-11H,2-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyZFIFAMLONAVJRQ-HSOILSAZSA-N
MW228.36 g/mol
LogP2.86
Rot. Bonds3

About ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate

ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate (PubChem CID 90221677) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate
PubChem CID90221677
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Nameethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC1C1CCCS1
InChIInChI=1S/C12H20O2S/c1-2-14-12(13)10-6-3-5-9(10)11-7-4-8-15-11/h9-11H,2-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyZFIFAMLONAVJRQ-HSOILSAZSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate (CID 90221677) is ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCCC1C1CCCS1.
What is the InChIKey of ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate?
The InChIKey is ZFIFAMLONAVJRQ-HSOILSAZSA-N. The full InChI is InChI=1S/C12H20O2S/c1-2-14-12(13)10-6-3-5-9(10)11-7-4-8-15-11/h9-11H,2-8H2,1H3/t9?,10-,11?/m1/s1.
What are the key properties of ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate?
ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate has a molecular weight of 228.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-(thiolan-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 90221677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).