azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium

C7H18NO6RfS- — CID 169425349

IUPACazanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium
SMILES[CH2-]OCC(C)(COC)COS(=O)(=O)[O-].[NH4+].[Rf]
InChIInChI=1S/C7H15O6S.H3N.Rf/c1-7(4-11-2,5-12-3)6-13-14(8,9)10;;/h2,4-6H2,1,3H3,(H,8,9,10);1H3;/q-1;;
InChIKeyDVFDVFQNBJFEMC-UHFFFAOYSA-N
MW511.29 g/mol
LogP0.30
Rot. Bonds7

About azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium

azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium (PubChem CID 169425349) has the molecular formula C7H18NO6RfS- and a molecular weight of 511.29 g/mol. Its IUPAC name is azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium.

Molecular Properties

Compound Nameazanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium
PubChem CID169425349
Molecular FormulaC7H18NO6RfS-
Molecular Weight511.29 g/mol
Exact Mass511.21
IUPAC Nameazanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium
SMILES[CH2-]OCC(C)(COC)COS(=O)(=O)[O-].[NH4+].[Rf]
InChIInChI=1S/C7H15O6S.H3N.Rf/c1-7(4-11-2,5-12-3)6-13-14(8,9)10;;/h2,4-6H2,1,3H3,(H,8,9,10);1H3;/q-1;;
InChIKeyDVFDVFQNBJFEMC-UHFFFAOYSA-N
XLogP0.30
TPSA121.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)
CID 159123534
azanium;[2-[[2,2-dimethyl-3-[2-methyl-2-(methylsulfonyloxymethyl)-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] sulfate;methane
CID 159581242
dilithium;(2,2-difluoro-3-sulfonatooxypropyl) sulfate
CID 118676398
[2-methyl-3-sulfonatooxy-2-(2,2,2-trifluoroethoxy)propyl] sulfate
CID 102271265
azanium [4-hydroxy-2,2-bis(2-hydroxyethyl)butyl] sulfate
CID 141385996
[2-[[3-[2-[(hydroxyazaniumyl)sulfonyloxymethyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] sulfate
CID 123819805
diazanium;methane;[2-methyl-4-methylsulfonyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butyl] sulfate;[2-methyl-4-methylsulfonyl-2-(2,2,2-trifluoroethoxymethyl)butyl] sulfate
CID 161017614
lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane
CID 14789976
[(2R)-2-(decoxymethyl)-2-(methoxymethyl)-8-pentoxyoctyl] sulfate
CID 58491984
azanium 12,12-dimethyltridecyl sulfate
CID 178070015
potassium [3-sulfooxy-2,2-bis(sulfooxymethyl)propyl] sulfate
CID 168867676
N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide
CID 115617292

Frequently Asked Questions

What is the IUPAC name of azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium?
The IUPAC name of azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium (CID 169425349) is azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium.
What is the SMILES notation for azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium?
The canonical SMILES for azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium is [CH2-]OCC(C)(COC)COS(=O)(=O)[O-].[NH4+].[Rf].
What is the InChIKey of azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium?
The InChIKey is DVFDVFQNBJFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O6S.H3N.Rf/c1-7(4-11-2,5-12-3)6-13-14(8,9)10;;/h2,4-6H2,1,3H3,(H,8,9,10);1H3;/q-1;;.
What are the key properties of azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium?
azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium has a molecular weight of 511.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;[2-(methanidyloxymethyl)-3-methoxy-2-methylpropyl] sulfate;rutherfordium is sourced from PubChem (CID 169425349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).