dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate

C20H22K2N4O4S — CID 6514282

IUPACdipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate
SMILESO=C([O-])C(Cc1ccccc1)[N-]S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1.[K+].[K+]
InChIInChI=1S/C20H23N4O4S.2K/c25-20(26)19(15-16-7-3-1-4-8-16)22-29(27,28)18-11-9-17(10-12-18)21-23-24-13-5-2-6-14-24;;/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,25,26);;/q-1;2*+1/p-1/b23-21+;;
InChIKeyQVRIQQJIGINTLI-GUSGXMBRSA-M
MW492.68 g/mol
LogP-3.40
Rot. Bonds8

About dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate

dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate (PubChem CID 6514282) has the molecular formula C20H22K2N4O4S and a molecular weight of 492.68 g/mol. Its IUPAC name is dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate.

Molecular Properties

Compound Namedipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate
PubChem CID6514282
Molecular FormulaC20H22K2N4O4S
Molecular Weight492.68 g/mol
Exact Mass492.06
IUPAC Namedipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate
SMILESO=C([O-])C(Cc1ccccc1)[N-]S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1.[K+].[K+]
InChIInChI=1S/C20H23N4O4S.2K/c25-20(26)19(15-16-7-3-1-4-8-16)22-29(27,28)18-11-9-17(10-12-18)21-23-24-13-5-2-6-14-24;;/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,25,26);;/q-1;2*+1/p-1/b23-21+;;
InChIKeyQVRIQQJIGINTLI-GUSGXMBRSA-M
XLogP-3.40
TPSA116.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.68
LogP ≤ 5-3.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-phenyl-2-[[4-(piperidin-1-yldiazenyl)phenyl]sulfonylamino]propanoic acid
CID 42531153
2-(2-hydroxyethylamino)ethanol;N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylacetamide
CID 17388729
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
potassium 2-amino-3-phenylpropanoate
CID 23692488
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
disodium;2-benzylpropanedioate
CID 141289309
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347396
(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
CID 15172767
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate?
The IUPAC name of dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate (CID 6514282) is dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate.
What is the SMILES notation for dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate?
The canonical SMILES for dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate is O=C([O-])C(Cc1ccccc1)[N-]S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1.[K+].[K+].
What is the InChIKey of dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate?
The InChIKey is QVRIQQJIGINTLI-GUSGXMBRSA-M. The full InChI is InChI=1S/C20H23N4O4S.2K/c25-20(26)19(15-16-7-3-1-4-8-16)22-29(27,28)18-11-9-17(10-12-18)21-23-24-13-5-2-6-14-24;;/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,25,26);;/q-1;2*+1/p-1/b23-21+;;.
What are the key properties of dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate?
dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate has a molecular weight of 492.68 g/mol, XLogP of -3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-phenyl-2-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylazanidylpropanoate is sourced from PubChem (CID 6514282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).