2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine

C15H19NO3S — CID 135041488

IUPAC2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)CC(C(=C)C)O1
InChIInChI=1S/C15H19NO3S/c1-11(2)15-10-16(9-13(4)19-15)20(17,18)14-7-5-12(3)6-8-14/h5-8,15H,1,4,9-10H2,2-3H3
InChIKeyDMOMSKWHHLNMIN-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.47
Rot. Bonds3

About 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine

2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine (PubChem CID 135041488) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine.

Molecular Properties

Compound Name2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine
PubChem CID135041488
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)CC(C(=C)C)O1
InChIInChI=1S/C15H19NO3S/c1-11(2)15-10-16(9-13(4)19-15)20(17,18)14-7-5-12(3)6-8-14/h5-8,15H,1,4,9-10H2,2-3H3
InChIKeyDMOMSKWHHLNMIN-UHFFFAOYSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine 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 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine?
The IUPAC name of 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine (CID 135041488) is 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine.
What is the SMILES notation for 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine?
The canonical SMILES for 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine is C=C1CN(S(=O)(=O)c2ccc(C)cc2)CC(C(=C)C)O1.
What is the InChIKey of 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine?
The InChIKey is DMOMSKWHHLNMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(2)15-10-16(9-13(4)19-15)20(17,18)14-7-5-12(3)6-8-14/h5-8,15H,1,4,9-10H2,2-3H3.
What are the key properties of 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine?
2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine has a molecular weight of 293.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine is sourced from PubChem (CID 135041488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).