3-ethenylthiomorpholine

C6H11NS — CID 54466789

IUPAC3-ethenylthiomorpholine
SMILESC=CC1CSCCN1
InChIInChI=1S/C6H11NS/c1-2-6-5-8-4-3-7-6/h2,6-7H,1,3-5H2
InChIKeyRHPSFCGJTFYGNC-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.88
Rot. Bonds1

About 3-ethenylthiomorpholine

3-ethenylthiomorpholine (PubChem CID 54466789) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3-ethenylthiomorpholine.

Molecular Properties

Compound Name3-ethenylthiomorpholine
PubChem CID54466789
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3-ethenylthiomorpholine
SMILESC=CC1CSCCN1
InChIInChI=1S/C6H11NS/c1-2-6-5-8-4-3-7-6/h2,6-7H,1,3-5H2
InChIKeyRHPSFCGJTFYGNC-UHFFFAOYSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylthiomorpholine?
The IUPAC name of 3-ethenylthiomorpholine (CID 54466789) is 3-ethenylthiomorpholine.
What is the SMILES notation for 3-ethenylthiomorpholine?
The canonical SMILES for 3-ethenylthiomorpholine is C=CC1CSCCN1.
What is the InChIKey of 3-ethenylthiomorpholine?
The InChIKey is RHPSFCGJTFYGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-6-5-8-4-3-7-6/h2,6-7H,1,3-5H2.
What are the key properties of 3-ethenylthiomorpholine?
3-ethenylthiomorpholine has a molecular weight of 129.23 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylthiomorpholine is sourced from PubChem (CID 54466789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).