(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one

C18H24N2O4S — CID 2422207

IUPAC(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCC1
InChIInChI=1S/C18H24N2O4S/c21-18(19-10-2-1-3-11-19)9-6-16-4-7-17(8-5-16)25(22,23)20-12-14-24-15-13-20/h4-9H,1-3,10-15H2/b9-6+
InChIKeyMAYMHQKYABGGML-RMKNXTFCSA-N
MW364.47 g/mol
LogP1.73
Rot. Bonds4

About (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one

(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 2422207) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one
PubChem CID2422207
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCC1
InChIInChI=1S/C18H24N2O4S/c21-18(19-10-2-1-3-11-19)9-6-16-4-7-17(8-5-16)25(22,23)20-12-14-24-15-13-20/h4-9H,1-3,10-15H2/b9-6+
InChIKeyMAYMHQKYABGGML-RMKNXTFCSA-N
XLogP1.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.73
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 (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one (CID 2422207) is (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCC1.
What is the InChIKey of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is MAYMHQKYABGGML-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-18(19-10-2-1-3-11-19)9-6-16-4-7-17(8-5-16)25(22,23)20-12-14-24-15-13-20/h4-9H,1-3,10-15H2/b9-6+.
What are the key properties of (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 364.47 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 2422207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).