azane;hydroxy hydrogen sulfate;2-methylprop-1-ene

C4H13NO5S — CID 174737556

IUPACazane;hydroxy hydrogen sulfate;2-methylprop-1-ene
SMILESC=C(C)C.N.O=S(=O)(O)OO
InChIInChI=1S/C4H8.H3N.H2O5S/c1-4(2)3;;1-5-6(2,3)4/h1H2,2-3H3;1H3;1H,(H,2,3,4)
InChIKeyOATJYCVWJMKLQT-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.02
Rot. Bonds1

About azane;hydroxy hydrogen sulfate;2-methylprop-1-ene

azane;hydroxy hydrogen sulfate;2-methylprop-1-ene (PubChem CID 174737556) has the molecular formula C4H13NO5S and a molecular weight of 187.22 g/mol. Its IUPAC name is azane;hydroxy hydrogen sulfate;2-methylprop-1-ene.

Molecular Properties

Compound Nameazane;hydroxy hydrogen sulfate;2-methylprop-1-ene
PubChem CID174737556
Molecular FormulaC4H13NO5S
Molecular Weight187.22 g/mol
Exact Mass187.05
IUPAC Nameazane;hydroxy hydrogen sulfate;2-methylprop-1-ene
SMILESC=C(C)C.N.O=S(=O)(O)OO
InChIInChI=1S/C4H8.H3N.H2O5S/c1-4(2)3;;1-5-6(2,3)4/h1H2,2-3H3;1H3;1H,(H,2,3,4)
InChIKeyOATJYCVWJMKLQT-UHFFFAOYSA-N
XLogP1.02
TPSA118.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;hydrogen peroxide;hydroxy hydrogen sulfate
CID 173220225
sodium;formaldehyde;hydride;hydroxy hydrogen sulfate
CID 173280993
hydrogen peroxide;hydroxy hydrogen sulfate;hydrate
CID 158756435
hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid
CID 158735820
potassium;hydride;hydroxy hydrogen sulfate;selane
CID 174900610
azane;ethene;methyl hydrogen sulfate
CID 175445348
hydroxy hydrogen sulfate;penta-1,4-diene
CID 174393320
lithium;hydride;2-methylprop-1-ene
CID 174274839
azane;ethyl hydrogen sulfate;2-methylprop-2-enoic acid
CID 174841515
CID 87705635
CID 87705635
(3-methyl-2-oxobut-3-enyl) hydrogen sulfate
CID 19888767
dimethylamino hydrogen sulfate
CID 23081915

Frequently Asked Questions

What is the IUPAC name of azane;hydroxy hydrogen sulfate;2-methylprop-1-ene?
The IUPAC name of azane;hydroxy hydrogen sulfate;2-methylprop-1-ene (CID 174737556) is azane;hydroxy hydrogen sulfate;2-methylprop-1-ene.
What is the SMILES notation for azane;hydroxy hydrogen sulfate;2-methylprop-1-ene?
The canonical SMILES for azane;hydroxy hydrogen sulfate;2-methylprop-1-ene is C=C(C)C.N.O=S(=O)(O)OO.
What is the InChIKey of azane;hydroxy hydrogen sulfate;2-methylprop-1-ene?
The InChIKey is OATJYCVWJMKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.H3N.H2O5S/c1-4(2)3;;1-5-6(2,3)4/h1H2,2-3H3;1H3;1H,(H,2,3,4).
What are the key properties of azane;hydroxy hydrogen sulfate;2-methylprop-1-ene?
azane;hydroxy hydrogen sulfate;2-methylprop-1-ene has a molecular weight of 187.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy hydrogen sulfate;2-methylprop-1-ene is sourced from PubChem (CID 174737556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).