cyclopentyl 2-thiomorpholin-3-ylacetate

C11H19NO2S — CID 66445864

IUPACcyclopentyl 2-thiomorpholin-3-ylacetate
SMILESO=C(CC1CSCCN1)OC1CCCC1
InChIInChI=1S/C11H19NO2S/c13-11(14-10-3-1-2-4-10)7-9-8-15-6-5-12-9/h9-10,12H,1-8H2
InChIKeyVQZCXPJYIKTTFD-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.57
Rot. Bonds3

About cyclopentyl 2-thiomorpholin-3-ylacetate

cyclopentyl 2-thiomorpholin-3-ylacetate (PubChem CID 66445864) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is cyclopentyl 2-thiomorpholin-3-ylacetate.

Molecular Properties

Compound Namecyclopentyl 2-thiomorpholin-3-ylacetate
PubChem CID66445864
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Namecyclopentyl 2-thiomorpholin-3-ylacetate
SMILESO=C(CC1CSCCN1)OC1CCCC1
InChIInChI=1S/C11H19NO2S/c13-11(14-10-3-1-2-4-10)7-9-8-15-6-5-12-9/h9-10,12H,1-8H2
InChIKeyVQZCXPJYIKTTFD-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 2-pyrrolidin-2-ylacetate
CID 61372710
cyclopentyl thiomorpholine-3-carboxylate
CID 82904457
cyclopropylmethyl 2-thiomorpholin-3-ylacetate
CID 66445671
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-(3-cyclopentyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938129
N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935650
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
cyclopentyl 3-piperidin-2-ylpropanoate
CID 62215567
2-butoxyethyl 2-thiomorpholin-3-ylacetate
CID 66445089
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-thiomorpholin-3-ylacetate?
The IUPAC name of cyclopentyl 2-thiomorpholin-3-ylacetate (CID 66445864) is cyclopentyl 2-thiomorpholin-3-ylacetate.
What is the SMILES notation for cyclopentyl 2-thiomorpholin-3-ylacetate?
The canonical SMILES for cyclopentyl 2-thiomorpholin-3-ylacetate is O=C(CC1CSCCN1)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-thiomorpholin-3-ylacetate?
The InChIKey is VQZCXPJYIKTTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-11(14-10-3-1-2-4-10)7-9-8-15-6-5-12-9/h9-10,12H,1-8H2.
What are the key properties of cyclopentyl 2-thiomorpholin-3-ylacetate?
cyclopentyl 2-thiomorpholin-3-ylacetate has a molecular weight of 229.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-thiomorpholin-3-ylacetate is sourced from PubChem (CID 66445864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).