(Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione

C18H24N2O2S2 — CID 87663127

IUPAC(Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
SMILESCSc1ccc(/C(=C/N2CCOCC2)C(=S)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O2S2/c1-24-16-4-2-15(3-5-16)17(14-19-6-10-21-11-7-19)18(23)20-8-12-22-13-9-20/h2-5,14H,6-13H2,1H3/b17-14-
InChIKeyVKIKJDDWZIJNQR-VKAVYKQESA-N
MW364.54 g/mol
LogP2.74
Rot. Bonds4

About (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione

(Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione (PubChem CID 87663127) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione.

Molecular Properties

Compound Name(Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
PubChem CID87663127
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name(Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
SMILESCSc1ccc(/C(=C/N2CCOCC2)C(=S)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O2S2/c1-24-16-4-2-15(3-5-16)17(14-19-6-10-21-11-7-19)18(23)20-8-12-22-13-9-20/h2-5,14H,6-13H2,1H3/b17-14-
InChIKeyVKIKJDDWZIJNQR-VKAVYKQESA-N
XLogP2.74
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
CID 87662755
2-(4-methoxyphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
CID 51682770
2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione
CID 151644036
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
(4-acetylphenyl) morpholine-4-carbodithioate
CID 134959857
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-yl-3-oxopropanal
CID 18671064
ethyl 2-[[(E)-3-morpholin-4-yl-2-phenyl-3-sulfanylideneprop-1-enyl]amino]acetate
CID 13438836
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone
CID 130430007
(4-methylsulfanylphenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]methanone
CID 45219229

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione?
The IUPAC name of (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione (CID 87663127) is (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione.
What is the SMILES notation for (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione?
The canonical SMILES for (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione is CSc1ccc(/C(=C/N2CCOCC2)C(=S)N2CCOCC2)cc1.
What is the InChIKey of (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione?
The InChIKey is VKIKJDDWZIJNQR-VKAVYKQESA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-24-16-4-2-15(3-5-16)17(14-19-6-10-21-11-7-19)18(23)20-8-12-22-13-9-20/h2-5,14H,6-13H2,1H3/b17-14-.
What are the key properties of (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione?
(Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione has a molecular weight of 364.54 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione is sourced from PubChem (CID 87663127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).