methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

C10H22NO5S+ — CID 174446040

IUPACmethanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)C.CS(=O)(=O)O
InChIInChI=1S/C9H18NO2.CH4O3S/c1-7(2)9(11)12-8(3)10(4,5)6;1-5(2,3)4/h8H,1H2,2-6H3;1H3,(H,2,3,4)/q+1;
InChIKeyFFIGBFYNFXYSMV-UHFFFAOYSA-N
MW268.35 g/mol
LogP0.66
Rot. Bonds3

About methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 174446040) has the molecular formula C10H22NO5S+ and a molecular weight of 268.35 g/mol. Its IUPAC name is methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Namemethanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID174446040
Molecular FormulaC10H22NO5S+
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Namemethanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)C.CS(=O)(=O)O
InChIInChI=1S/C9H18NO2.CH4O3S/c1-7(2)9(11)12-8(3)10(4,5)6;1-5(2,3)4/h8H,1H2,2-6H3;1H3,(H,2,3,4)/q+1;
InChIKeyFFIGBFYNFXYSMV-UHFFFAOYSA-N
XLogP0.66
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[1-(4-methyl-2-methylidene-3-oxopent-4-enoyl)oxyethyl]azanium
CID 139829236
1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18552290
calcium 1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19966600
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627
propan-2-yl 2-methylprop-2-enoate
CID 146421311
ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140517255
trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
CID 174605040
3-(methanesulfonamido)butan-2-yl 2-methylprop-2-enoate
CID 139973187
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
CID 175171875
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
CID 87588648
trimethyl-[1-[2-(prop-2-enoylamino)prop-2-enoyloxy]ethyl]azanium chloride
CID 174781364

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 174446040) is methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OC(C)[N+](C)(C)C.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is FFIGBFYNFXYSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2.CH4O3S/c1-7(2)9(11)12-8(3)10(4,5)6;1-5(2,3)4/h8H,1H2,2-6H3;1H3,(H,2,3,4)/q+1;.
What are the key properties of methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 268.35 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 174446040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).