[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane

C25H36N3O2PS — CID 2314829

IUPAC[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESS=P(C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C25H36N3O2PS/c32-31(27-13-17-29-18-14-27,28-15-19-30-20-16-28)24-10-9-23(21-22-7-3-1-4-8-22)25(24)26-11-5-2-6-12-26/h1,3-4,7-8,21H,2,5-6,9-20H2/b23-21+
InChIKeyZCSZNQAZEQNWDP-XTQSDGFTSA-N
MW473.62 g/mol
LogP4.54
Rot. Bonds5

About [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane

[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane (PubChem CID 2314829) has the molecular formula C25H36N3O2PS and a molecular weight of 473.62 g/mol. Its IUPAC name is [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
PubChem CID2314829
Molecular FormulaC25H36N3O2PS
Molecular Weight473.62 g/mol
Exact Mass473.23
IUPAC Name[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESS=P(C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C25H36N3O2PS/c32-31(27-13-17-29-18-14-27,28-15-19-30-20-16-28)24-10-9-23(21-22-7-3-1-4-8-22)25(24)26-11-5-2-6-12-26/h1,3-4,7-8,21H,2,5-6,9-20H2/b23-21+
InChIKeyZCSZNQAZEQNWDP-XTQSDGFTSA-N
XLogP4.54
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-ethoxy-sulfanylidene-λ5-phosphane
CID 100992898
bis[(3Z)-3-[(4-bromophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-λ5-phosphane
CID 75408782
N-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-(diethylamino)phosphinothioyl]-N-ethylethanamine
CID 2331468
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-2-morpholin-4-ylethane-1,2-dione
CID 3458596
ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate
CID 5026808
morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162
1-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-3-phenylthiourea
CID 7041326
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
CID 6158019
N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
CID 84583005
N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-bromobenzamide
CID 6899054
(3Z)-N-(2-chlorophenyl)-3-[(3-phenoxyphenyl)methylidene]-2-piperidin-1-ylcyclopentene-1-carbothioamide
CID 2394969

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane (CID 2314829) is [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane is S=P(C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is ZCSZNQAZEQNWDP-XTQSDGFTSA-N. The full InChI is InChI=1S/C25H36N3O2PS/c32-31(27-13-17-29-18-14-27,28-15-19-30-20-16-28)24-10-9-23(21-22-7-3-1-4-8-22)25(24)26-11-5-2-6-12-26/h1,3-4,7-8,21H,2,5-6,9-20H2/b23-21+.
What are the key properties of [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
[(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 473.62 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-benzylidene-2-piperidin-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2314829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).