methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium

C11H22NO2S+ — CID 91494220

IUPACmethyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCS(C)(=O)=O
InChIInChI=1S/C11H22NO2S/c1-5-8-12(3,9-6-2)10-7-11-15(4,13)14/h5-6H,1-2,7-11H2,3-4H3/q+1
InChIKeyJODDNDKMLQWVHZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.24
Rot. Bonds8

About methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium

methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium (PubChem CID 91494220) has the molecular formula C11H22NO2S+ and a molecular weight of 232.37 g/mol. Its IUPAC name is methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namemethyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium
PubChem CID91494220
Molecular FormulaC11H22NO2S+
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Namemethyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCS(C)(=O)=O
InChIInChI=1S/C11H22NO2S/c1-5-8-12(3,9-6-2)10-7-11-15(4,13)14/h5-6H,1-2,7-11H2,3-4H3/q+1
InChIKeyJODDNDKMLQWVHZ-UHFFFAOYSA-N
XLogP1.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium?
The IUPAC name of methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium (CID 91494220) is methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)CCCS(C)(=O)=O.
What is the InChIKey of methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium?
The InChIKey is JODDNDKMLQWVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2S/c1-5-8-12(3,9-6-2)10-7-11-15(4,13)14/h5-6H,1-2,7-11H2,3-4H3/q+1.
What are the key properties of methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium?
methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium has a molecular weight of 232.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methylsulfonylpropyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 91494220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).