4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine

C14H19NOS — CID 2056854

IUPAC4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine
SMILESC=CCOc1ccccc1CN1CCSCC1
InChIInChI=1S/C14H19NOS/c1-2-9-16-14-6-4-3-5-13(14)12-15-7-10-17-11-8-15/h2-6H,1,7-12H2
InChIKeyANCBJTYNDGJKLC-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.80
Rot. Bonds5

About 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine

4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine (PubChem CID 2056854) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine
PubChem CID2056854
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine
SMILESC=CCOc1ccccc1CN1CCSCC1
InChIInChI=1S/C14H19NOS/c1-2-9-16-14-6-4-3-5-13(14)12-15-7-10-17-11-8-15/h2-6H,1,7-12H2
InChIKeyANCBJTYNDGJKLC-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine (CID 2056854) is 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine is C=CCOc1ccccc1CN1CCSCC1.
What is the InChIKey of 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine?
The InChIKey is ANCBJTYNDGJKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-9-16-14-6-4-3-5-13(14)12-15-7-10-17-11-8-15/h2-6H,1,7-12H2.
What are the key properties of 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine?
4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine has a molecular weight of 249.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-2-enoxyphenyl)methyl]thiomorpholine is sourced from PubChem (CID 2056854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).