1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one

C15H15NO2S2 — CID 2739806

IUPAC1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one
SMILESO=C(C(=Cc1cccs1)c1ccsc1)N1CCOCC1
InChIInChI=1S/C15H15NO2S2/c17-15(16-4-6-18-7-5-16)14(12-3-9-19-11-12)10-13-2-1-8-20-13/h1-3,8-11H,4-7H2
InChIKeyLUCZNHPMRLFHDP-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.21
Rot. Bonds3

About 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one

1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one (PubChem CID 2739806) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one
PubChem CID2739806
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Name1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one
SMILESO=C(C(=Cc1cccs1)c1ccsc1)N1CCOCC1
InChIInChI=1S/C15H15NO2S2/c17-15(16-4-6-18-7-5-16)14(12-3-9-19-11-12)10-13-2-1-8-20-13/h1-3,8-11H,4-7H2
InChIKeyLUCZNHPMRLFHDP-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one (CID 2739806) is 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one is O=C(C(=Cc1cccs1)c1ccsc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one?
The InChIKey is LUCZNHPMRLFHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S2/c17-15(16-4-6-18-7-5-16)14(12-3-9-19-11-12)10-13-2-1-8-20-13/h1-3,8-11H,4-7H2.
What are the key properties of 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one?
1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one has a molecular weight of 305.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-thiophen-2-yl-2-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 2739806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).