5-cyclobutylthiomorpholin-3-one

C8H13NOS — CID 105434903

IUPAC5-cyclobutylthiomorpholin-3-one
SMILESO=C1CSCC(C2CCC2)N1
InChIInChI=1S/C8H13NOS/c10-8-5-11-4-7(9-8)6-2-1-3-6/h6-7H,1-5H2,(H,9,10)
InChIKeyPCYADQKNDZXTQY-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.02
Rot. Bonds1

About 5-cyclobutylthiomorpholin-3-one

5-cyclobutylthiomorpholin-3-one (PubChem CID 105434903) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-cyclobutylthiomorpholin-3-one.

Molecular Properties

Compound Name5-cyclobutylthiomorpholin-3-one
PubChem CID105434903
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name5-cyclobutylthiomorpholin-3-one
SMILESO=C1CSCC(C2CCC2)N1
InChIInChI=1S/C8H13NOS/c10-8-5-11-4-7(9-8)6-2-1-3-6/h6-7H,1-5H2,(H,9,10)
InChIKeyPCYADQKNDZXTQY-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutylthiomorpholin-3-one?
The IUPAC name of 5-cyclobutylthiomorpholin-3-one (CID 105434903) is 5-cyclobutylthiomorpholin-3-one.
What is the SMILES notation for 5-cyclobutylthiomorpholin-3-one?
The canonical SMILES for 5-cyclobutylthiomorpholin-3-one is O=C1CSCC(C2CCC2)N1.
What is the InChIKey of 5-cyclobutylthiomorpholin-3-one?
The InChIKey is PCYADQKNDZXTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c10-8-5-11-4-7(9-8)6-2-1-3-6/h6-7H,1-5H2,(H,9,10).
What are the key properties of 5-cyclobutylthiomorpholin-3-one?
5-cyclobutylthiomorpholin-3-one has a molecular weight of 171.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylthiomorpholin-3-one is sourced from PubChem (CID 105434903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).