3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one

C11H19NO2S — CID 59324899

IUPAC3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
SMILESC=C(CCSC)CC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO2S/c1-10(3-8-15-2)9-11(13)12-4-6-14-7-5-12/h1,3-9H2,2H3
InChIKeyGWDKUWNTOPFFQA-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.54
Rot. Bonds5

About 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one

3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one (PubChem CID 59324899) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
PubChem CID59324899
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
SMILESC=C(CCSC)CC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO2S/c1-10(3-8-15-2)9-11(13)12-4-6-14-7-5-12/h1,3-9H2,2H3
InChIKeyGWDKUWNTOPFFQA-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one (CID 59324899) is 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one is C=C(CCSC)CC(=O)N1CCOCC1.
What is the InChIKey of 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is GWDKUWNTOPFFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-10(3-8-15-2)9-11(13)12-4-6-14-7-5-12/h1,3-9H2,2H3.
What are the key properties of 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 229.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 59324899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).