1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine

C13H16N3O3S- — CID 23599683

IUPAC1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine
SMILESO=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17N3O3S/c17-13(16-9-5-2-6-10-16)12(14-15-20(18)19)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,18,19)/p-1/b14-12-
InChIKeyZZVWMPUFFAPCCA-OWBHPGMISA-M
MW294.36 g/mol
LogP0.79
Rot. Bonds4

About 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine

1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine (PubChem CID 23599683) has the molecular formula C13H16N3O3S- and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine.

Molecular Properties

Compound Name1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine
PubChem CID23599683
Molecular FormulaC13H16N3O3S-
Molecular Weight294.36 g/mol
Exact Mass294.09
IUPAC Name1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine
SMILESO=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17N3O3S/c17-13(16-9-5-2-6-10-16)12(14-15-20(18)19)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,18,19)/p-1/b14-12-
InChIKeyZZVWMPUFFAPCCA-OWBHPGMISA-M
XLogP0.79
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine
CID 172964167
N-[(E)-[2-(azepan-1-yl)-2-oxo-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 10620959
4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide
CID 10786440
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
N-benzhydryl-2-oxo-2-piperidin-1-ylacetamide
CID 108508001
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
trisodium;argon;tert-butyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;methyl 2-phenyl-2-piperidin-2-ylacetate;bis(2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetate);2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid;7-phenyl-1-azabicyclo[4.2.0]octan-8-one;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine;hydroxide
CID 172972625
(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
CID 6377486
1-phenyl-2-piperidin-1-ylethane-1,2-dione;1,1,2,2-tetraphenylethane-1,2-diol
CID 139194610
N-[(Z)-1-[4-[(Z)-2-benzamido-1-bromo-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]-1-bromo-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 156597761
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine?
The IUPAC name of 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine (CID 23599683) is 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine.
What is the SMILES notation for 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine?
The canonical SMILES for 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine is O=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine?
The InChIKey is ZZVWMPUFFAPCCA-OWBHPGMISA-M. The full InChI is InChI=1S/C13H17N3O3S/c17-13(16-9-5-2-6-10-16)12(14-15-20(18)19)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,18,19)/p-1/b14-12-.
What are the key properties of 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine?
1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine has a molecular weight of 294.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine is sourced from PubChem (CID 23599683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).