methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium

C7H15NO5S — CID 159250913

IUPACmethanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
SMILESC=C(C)C(=O)OCC[NH3+].CS(=O)(=O)[O-]
InChIInChI=1S/C6H11NO2.CH4O3S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;1H3,(H,2,3,4)
InChIKeyKVHAVGCFHDEWNN-UHFFFAOYSA-N
MW225.27 g/mol
LogP-1.49
Rot. Bonds3

About methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium

methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium (PubChem CID 159250913) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium.

Molecular Properties

Compound Namemethanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
PubChem CID159250913
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Namemethanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
SMILESC=C(C)C(=O)OCC[NH3+].CS(=O)(=O)[O-]
InChIInChI=1S/C6H11NO2.CH4O3S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;1H3,(H,2,3,4)
InChIKeyKVHAVGCFHDEWNN-UHFFFAOYSA-N
XLogP-1.49
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 53470662
diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride
CID 143861724
benzenesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 88734016
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
2-(2,2-dimethylbutanoylamino)-2-methylpropane-1-sulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 123265095
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
3-(trimethyl-λ4-sulfanyl)propyl 2-methylprop-2-enoate
CID 126489334
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
CID 87705635
CID 87705635
6-(2-methylprop-2-enoyloxy)hexane-1-sulfonate
CID 140800705
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium?
The IUPAC name of methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium (CID 159250913) is methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium.
What is the SMILES notation for methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium?
The canonical SMILES for methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium is C=C(C)C(=O)OCC[NH3+].CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium?
The InChIKey is KVHAVGCFHDEWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.CH4O3S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium?
methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium has a molecular weight of 225.27 g/mol, XLogP of -1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium is sourced from PubChem (CID 159250913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).