(E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione

C14H19N3OS — CID 6519021

IUPAC(E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione
SMILESCN(C)/C=C(/C(=S)N1CCOCC1)c1ccccn1
InChIInChI=1S/C14H19N3OS/c1-16(2)11-12(13-5-3-4-6-15-13)14(19)17-7-9-18-10-8-17/h3-6,11H,7-10H2,1-2H3/b12-11+
InChIKeyATCFBTHQAGCXDJ-VAWYXSNFSA-N
MW277.39 g/mol
LogP1.64
Rot. Bonds3

About (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione

(E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione (PubChem CID 6519021) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione
PubChem CID6519021
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione
SMILESCN(C)/C=C(/C(=S)N1CCOCC1)c1ccccn1
InChIInChI=1S/C14H19N3OS/c1-16(2)11-12(13-5-3-4-6-15-13)14(19)17-7-9-18-10-8-17/h3-6,11H,7-10H2,1-2H3/b12-11+
InChIKeyATCFBTHQAGCXDJ-VAWYXSNFSA-N
XLogP1.64
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione?
The IUPAC name of (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione (CID 6519021) is (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione.
What is the SMILES notation for (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione?
The canonical SMILES for (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione is CN(C)/C=C(/C(=S)N1CCOCC1)c1ccccn1.
What is the InChIKey of (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione?
The InChIKey is ATCFBTHQAGCXDJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16(2)11-12(13-5-3-4-6-15-13)14(19)17-7-9-18-10-8-17/h3-6,11H,7-10H2,1-2H3/b12-11+.
What are the key properties of (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione?
(E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione has a molecular weight of 277.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-morpholin-4-yl-2-pyridin-2-ylprop-2-ene-1-thione is sourced from PubChem (CID 6519021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).