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

C18H24N2O2S — CID 87662755

IUPAC(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
SMILESCc1ccc(/C(=C/N2CCOCC2)C(=S)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O2S/c1-15-2-4-16(5-3-15)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-
InChIKeyMRDPSIHQCLWUAK-VKAVYKQESA-N
MW332.47 g/mol
LogP2.33
Rot. Bonds3

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

(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione (PubChem CID 87662755) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione.

Molecular Properties

Compound Name(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
PubChem CID87662755
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
SMILESCc1ccc(/C(=C/N2CCOCC2)C(=S)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O2S/c1-15-2-4-16(5-3-15)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-
InChIKeyMRDPSIHQCLWUAK-VKAVYKQESA-N
XLogP2.33
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylsulfanylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
CID 87663127
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-methylphenyl)-morpholin-4-ylmethaneselone
CID 4294133
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
(E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid
CID 21418474
ethyl 2-[[(E)-3-morpholin-4-yl-2-phenyl-3-sulfanylideneprop-1-enyl]amino]acetate
CID 13438836
2-morpholin-4-yl-1-(4-phenylphenyl)-2-sulfanylideneethanone
CID 130430007
4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine
CID 13119946
N-[N-(2,2-dichloroethenyl)-C-(4-methylphenyl)carbonimidoyl]morpholine-4-carbothioamide
CID 4224571
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione?
The IUPAC name of (Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione (CID 87662755) is (Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione.
What is the SMILES notation for (Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione?
The canonical SMILES for (Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione is Cc1ccc(/C(=C/N2CCOCC2)C(=S)N2CCOCC2)cc1.
What is the InChIKey of (Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione?
The InChIKey is MRDPSIHQCLWUAK-VKAVYKQESA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-15-2-4-16(5-3-15)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-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione?
(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione has a molecular weight of 332.47 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione is sourced from PubChem (CID 87662755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).