[2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium

C15H28N4O3S+2 — CID 7853411

IUPAC[2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium
SMILESC[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H26N4O3S/c1-15(2,11-19(3)4)10-17-9-14(20)18-12-6-5-7-13(8-12)23(16,21)22/h5-8,17H,9-11H2,1-4H3,(H,18,20)(H2,16,21,22)/p+2
InChIKeyDCYQGAIUCUXGJE-UHFFFAOYSA-P
MW344.48 g/mol
LogP-1.99
Rot. Bonds8

About [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium

[2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium (PubChem CID 7853411) has the molecular formula C15H28N4O3S+2 and a molecular weight of 344.48 g/mol. Its IUPAC name is [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium.

Molecular Properties

Compound Name[2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium
PubChem CID7853411
Molecular FormulaC15H28N4O3S+2
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name[2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium
SMILESC[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H26N4O3S/c1-15(2,11-19(3)4)10-17-9-14(20)18-12-6-5-7-13(8-12)23(16,21)22/h5-8,17H,9-11H2,1-4H3,(H,18,20)(H2,16,21,22)/p+2
InChIKeyDCYQGAIUCUXGJE-UHFFFAOYSA-P
XLogP-1.99
TPSA110.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium with MolForge

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Related Compounds

[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9170013
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
CID 65264374
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
2-methyl-2-(methylamino)-N-(3-sulfamoylphenyl)propanamide
CID 62834489
2-(ethylamino)-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55121317
(4-bromophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9040443
2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 61266531
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium?
The IUPAC name of [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium (CID 7853411) is [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium.
What is the SMILES notation for [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium?
The canonical SMILES for [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium is C[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium?
The InChIKey is DCYQGAIUCUXGJE-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H26N4O3S/c1-15(2,11-19(3)4)10-17-9-14(20)18-12-6-5-7-13(8-12)23(16,21)22/h5-8,17H,9-11H2,1-4H3,(H,18,20)(H2,16,21,22)/p+2.
What are the key properties of [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium?
[2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium has a molecular weight of 344.48 g/mol, XLogP of -1.99, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium is sourced from PubChem (CID 7853411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).