cyclopentyl thiomorpholine-3-carboxylate

C10H17NO2S — CID 82904457

IUPACcyclopentyl thiomorpholine-3-carboxylate
SMILESO=C(OC1CCCC1)C1CSCCN1
InChIInChI=1S/C10H17NO2S/c12-10(9-7-14-6-5-11-9)13-8-3-1-2-4-8/h8-9,11H,1-7H2
InChIKeySQWUDGIXSSFGCV-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.18
Rot. Bonds2

About cyclopentyl thiomorpholine-3-carboxylate

cyclopentyl thiomorpholine-3-carboxylate (PubChem CID 82904457) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is cyclopentyl thiomorpholine-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl thiomorpholine-3-carboxylate
PubChem CID82904457
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Namecyclopentyl thiomorpholine-3-carboxylate
SMILESO=C(OC1CCCC1)C1CSCCN1
InChIInChI=1S/C10H17NO2S/c12-10(9-7-14-6-5-11-9)13-8-3-1-2-4-8/h8-9,11H,1-7H2
InChIKeySQWUDGIXSSFGCV-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl azetidine-2-carboxylate
CID 131025825
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969
cyclopentyl 2-thiomorpholin-3-ylacetate
CID 66445864
cyclopentylmethyl thiomorpholine-3-carboxylate
CID 82905179
cycloheptyl(thiomorpholin-3-yl)methanone
CID 116609701
1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate
CID 82905096
(3R)-thiomorpholine-3-carboxamide
CID 41097978
cyclooctyl cyclooctanecarboxylate
CID 57160377
2-ethoxyethyl thiomorpholine-3-carboxylate
CID 82904613
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
(3,5-dimethylcyclohexyl) piperidine-2-carboxylate
CID 64732036
cyclopentyl piperidine-3-carboxylate
CID 61278605

Frequently Asked Questions

What is the IUPAC name of cyclopentyl thiomorpholine-3-carboxylate?
The IUPAC name of cyclopentyl thiomorpholine-3-carboxylate (CID 82904457) is cyclopentyl thiomorpholine-3-carboxylate.
What is the SMILES notation for cyclopentyl thiomorpholine-3-carboxylate?
The canonical SMILES for cyclopentyl thiomorpholine-3-carboxylate is O=C(OC1CCCC1)C1CSCCN1.
What is the InChIKey of cyclopentyl thiomorpholine-3-carboxylate?
The InChIKey is SQWUDGIXSSFGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-10(9-7-14-6-5-11-9)13-8-3-1-2-4-8/h8-9,11H,1-7H2.
What are the key properties of cyclopentyl thiomorpholine-3-carboxylate?
cyclopentyl thiomorpholine-3-carboxylate has a molecular weight of 215.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl thiomorpholine-3-carboxylate is sourced from PubChem (CID 82904457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).