sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride

C6H16ClNO4S — CID 175609144

IUPACsulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
SMILESC=CC[N+](C)(C)C.O=S(=O)(O)O.[Cl-]
InChIInChI=1S/C6H14N.ClH.H2O4S/c1-5-6-7(2,3)4;;1-5(2,3)4/h5H,1,6H2,2-4H3;1H;(H2,1,2,3,4)/q+1;;/p-1
InChIKeyTVLHJUNNRLNDFK-UHFFFAOYSA-M
MW233.72 g/mol
LogP-2.77
Rot. Bonds2

About sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride

sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride (PubChem CID 175609144) has the molecular formula C6H16ClNO4S and a molecular weight of 233.72 g/mol. Its IUPAC name is sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride.

Molecular Properties

Compound Namesulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
PubChem CID175609144
Molecular FormulaC6H16ClNO4S
Molecular Weight233.72 g/mol
Exact Mass233.05
IUPAC Namesulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
SMILESC=CC[N+](C)(C)C.O=S(=O)(O)O.[Cl-]
InChIInChI=1S/C6H14N.ClH.H2O4S/c1-5-6-7(2,3)4;;1-5(2,3)4/h5H,1,6H2,2-4H3;1H;(H2,1,2,3,4)/q+1;;/p-1
InChIKeyTVLHJUNNRLNDFK-UHFFFAOYSA-M
XLogP-2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

carbonic acid;trimethyl(prop-2-enyl)azanium
CID 174635433
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
CID 174934724
4-methylbenzenesulfonic acid;trimethyl(prop-2-enyl)azanium
CID 6713455
ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
CID 87909379
azane;trimethyl(prop-2-enyl)azanium;bromide;hydrobromide
CID 174829617
trimethyl(prop-2-enyl)azanium nitrite
CID 87073943
methanesulfonate;methyl-tris(prop-2-enyl)azanium
CID 141431677
methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
acetamido-dimethyl-prop-2-enylazanium chloride
CID 21429946

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride?
The IUPAC name of sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride (CID 175609144) is sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride.
What is the SMILES notation for sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride?
The canonical SMILES for sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride is C=CC[N+](C)(C)C.O=S(=O)(O)O.[Cl-].
What is the InChIKey of sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride?
The InChIKey is TVLHJUNNRLNDFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N.ClH.H2O4S/c1-5-6-7(2,3)4;;1-5(2,3)4/h5H,1,6H2,2-4H3;1H;(H2,1,2,3,4)/q+1;;/p-1.
What are the key properties of sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride?
sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride has a molecular weight of 233.72 g/mol, XLogP of -2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride is sourced from PubChem (CID 175609144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).