methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C10H21NO5S — CID 139835753

IUPACmethyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)C.COS(=O)[O-]
InChIInChI=1S/C9H18NO2.CH4O3S/c1-8(2)9(11)12-7-6-10(3,4)5;1-4-5(2)3/h1,6-7H2,2-5H3;1H3,(H,2,3)/q+1;/p-1
InChIKeyVVXBWTRAMOGWSZ-UHFFFAOYSA-M
MW267.35 g/mol
LogP0.24
Rot. Bonds5

About methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 139835753) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Namemethyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID139835753
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Namemethyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)C.COS(=O)[O-]
InChIInChI=1S/C9H18NO2.CH4O3S/c1-8(2)9(11)12-7-6-10(3,4)5;1-4-5(2)3/h1,6-7H2,2-5H3;1H3,(H,2,3)/q+1;/p-1
InChIKeyVVXBWTRAMOGWSZ-UHFFFAOYSA-M
XLogP0.24
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 126739957
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
2-(2-methylprop-2-enoyloxy)ethyl-[2-(trimethylazaniumyl)ethoxy]phosphinate
CID 168739596
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
CID 174627392
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
methane;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;dibromide;dichloride
CID 159318487
2-methylprop-2-enoate;methyl sulfate;bis(prop-2-enenitrile);bis(trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium)
CID 173301297
methyl sulfate;methyl-tris[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoyl]oxyethyl]azanium
CID 157276637
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937

Frequently Asked Questions

What is the IUPAC name of methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 139835753) is methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+](C)(C)C.COS(=O)[O-].
What is the InChIKey of methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is VVXBWTRAMOGWSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO2.CH4O3S/c1-8(2)9(11)12-7-6-10(3,4)5;1-4-5(2)3/h1,6-7H2,2-5H3;1H3,(H,2,3)/q+1;/p-1.
What are the key properties of methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 267.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl sulfite;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 139835753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).