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

C13H16ArN3O3S- — CID 172964167

IUPACargon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine
SMILESO=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1.[Ar]
InChIInChI=1S/C13H17N3O3S.Ar/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-;
InChIKeyNWZRXURNHJTIOH-CTMPBGLUSA-M
MW334.30 g/mol
LogP0.79
Rot. Bonds4

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

argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine (PubChem CID 172964167) has the molecular formula C13H16ArN3O3S- and a molecular weight of 334.30 g/mol. Its IUPAC name is argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine.

Molecular Properties

Compound Nameargon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine
PubChem CID172964167
Molecular FormulaC13H16ArN3O3S-
Molecular Weight334.30 g/mol
Exact Mass334.05
IUPAC Nameargon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine
SMILESO=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1.[Ar]
InChIInChI=1S/C13H17N3O3S.Ar/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-;
InChIKeyNWZRXURNHJTIOH-CTMPBGLUSA-M
XLogP0.79
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
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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Frequently Asked Questions

What is the IUPAC name of argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine?
The IUPAC name of argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine (CID 172964167) is argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine.
What is the SMILES notation for argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine?
The canonical SMILES for argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine is O=C(/C(=N\NS(=O)[O-])c1ccccc1)N1CCCCC1.[Ar].
What is the InChIKey of argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine?
The InChIKey is NWZRXURNHJTIOH-CTMPBGLUSA-M. The full InChI is InChI=1S/C13H17N3O3S.Ar/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 argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine?
argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine has a molecular weight of 334.30 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 argon;1-[(2Z)-2-phenyl-2-(sulfinatohydrazinylidene)acetyl]piperidine is sourced from PubChem (CID 172964167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).