2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione

C15H19BrN2OS — CID 151644036

IUPAC2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione
SMILESCN(C)C=C(C(=S)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2OS/c1-17(2)11-14(12-3-5-13(16)6-4-12)15(20)18-7-9-19-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyQTDBZSQKZKHEIS-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione

2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione (PubChem CID 151644036) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione
PubChem CID151644036
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione
SMILESCN(C)C=C(C(=S)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2OS/c1-17(2)11-14(12-3-5-13(16)6-4-12)15(20)18-7-9-19-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyQTDBZSQKZKHEIS-UHFFFAOYSA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione
CID 6519021
(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
CID 87662755
(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
1-(4-bromophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 799118
2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione
CID 102364471
4-(2-morpholin-4-yl-2-sulfanylideneacetyl)benzonitrile
CID 130429938
2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone
CID 140783533
methyl 4-(morpholine-4-carbothioyl)benzoate
CID 974575
4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide
CID 9225825
ethyl 2-[[(E)-3-morpholin-4-yl-2-phenyl-3-sulfanylideneprop-1-enyl]amino]acetate
CID 13438836
(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal
CID 13079816

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione?
The IUPAC name of 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione (CID 151644036) is 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione.
What is the SMILES notation for 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione?
The canonical SMILES for 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione is CN(C)C=C(C(=S)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione?
The InChIKey is QTDBZSQKZKHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-17(2)11-14(12-3-5-13(16)6-4-12)15(20)18-7-9-19-10-8-18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione?
2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione has a molecular weight of 355.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(dimethylamino)-1-morpholin-4-ylprop-2-ene-1-thione is sourced from PubChem (CID 151644036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).