hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium

C9H20N2O5S — CID 118388929

IUPAChydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NCC[N+](C)(C)C.O=S(=O)([O-])O
InChIInChI=1S/C9H18N2O.H2O4S/c1-8(2)9(12)10-6-7-11(3,4)5;1-5(2,3)4/h1,6-7H2,2-5H3;(H2,1,2,3,4)
InChIKeyLUOAIQPXXGAEDU-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.61
Rot. Bonds4

About hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium

hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium (PubChem CID 118388929) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium.

Molecular Properties

Compound Namehydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
PubChem CID118388929
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Namehydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
SMILESC=C(C)C(=O)NCC[N+](C)(C)C.O=S(=O)([O-])O
InChIInChI=1S/C9H18N2O.H2O4S/c1-8(2)9(12)10-6-7-11(3,4)5;1-5(2,3)4/h1,6-7H2,2-5H3;(H2,1,2,3,4)
InChIKeyLUOAIQPXXGAEDU-UHFFFAOYSA-N
XLogP-0.61
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
bis(triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium);sulfate
CID 139839973
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
methane;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;dibromide;dichloride
CID 159318487
2-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]ethanesulfonate
CID 118856655
bis(trimethyl-[5-(2-methylprop-2-enoylamino)pent-2-enyl]azanium);sulfate
CID 175311291
N,N-dimethyl-3-(2-methylprop-2-enoylamino)propan-1-amine oxide
CID 87182014
8-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]octane-1-sulfonate
CID 122622583
triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18000449
dimethyl-[8-(2-methylprop-2-enoylamino)octyl]-(3-sulfopropyl)azanium
CID 122622475
[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 138394841

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The IUPAC name of hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium (CID 118388929) is hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium.
What is the SMILES notation for hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The canonical SMILES for hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium is C=C(C)C(=O)NCC[N+](C)(C)C.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
The InChIKey is LUOAIQPXXGAEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.H2O4S/c1-8(2)9(12)10-6-7-11(3,4)5;1-5(2,3)4/h1,6-7H2,2-5H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium?
hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium has a molecular weight of 268.33 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium is sourced from PubChem (CID 118388929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).