cyclopentylmethyl thiomorpholine-3-carboxylate

C11H19NO2S — CID 82905179

IUPACcyclopentylmethyl thiomorpholine-3-carboxylate
SMILESO=C(OCC1CCCC1)C1CSCCN1
InChIInChI=1S/C11H19NO2S/c13-11(10-8-15-6-5-12-10)14-7-9-3-1-2-4-9/h9-10,12H,1-8H2
InChIKeyCWRKBJUKWLSEHX-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.42
Rot. Bonds3

About cyclopentylmethyl thiomorpholine-3-carboxylate

cyclopentylmethyl thiomorpholine-3-carboxylate (PubChem CID 82905179) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is cyclopentylmethyl thiomorpholine-3-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl thiomorpholine-3-carboxylate
PubChem CID82905179
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Namecyclopentylmethyl thiomorpholine-3-carboxylate
SMILESO=C(OCC1CCCC1)C1CSCCN1
InChIInChI=1S/C11H19NO2S/c13-11(10-8-15-6-5-12-10)14-7-9-3-1-2-4-9/h9-10,12H,1-8H2
InChIKeyCWRKBJUKWLSEHX-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl thiomorpholine-3-carboxylate?
The IUPAC name of cyclopentylmethyl thiomorpholine-3-carboxylate (CID 82905179) is cyclopentylmethyl thiomorpholine-3-carboxylate.
What is the SMILES notation for cyclopentylmethyl thiomorpholine-3-carboxylate?
The canonical SMILES for cyclopentylmethyl thiomorpholine-3-carboxylate is O=C(OCC1CCCC1)C1CSCCN1.
What is the InChIKey of cyclopentylmethyl thiomorpholine-3-carboxylate?
The InChIKey is CWRKBJUKWLSEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-11(10-8-15-6-5-12-10)14-7-9-3-1-2-4-9/h9-10,12H,1-8H2.
What are the key properties of cyclopentylmethyl thiomorpholine-3-carboxylate?
cyclopentylmethyl thiomorpholine-3-carboxylate has a molecular weight of 229.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl thiomorpholine-3-carboxylate is sourced from PubChem (CID 82905179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).