trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium

C14H30NO2S+ — CID 122186578

IUPACtrimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium
SMILESC=C(CCCCCC)S(=O)(=O)CCC[N+](C)(C)C
InChIInChI=1S/C14H30NO2S/c1-6-7-8-9-11-14(2)18(16,17)13-10-12-15(3,4)5/h2,6-13H2,1,3-5H3/q+1
InChIKeyZKLPISNLPCRFFP-UHFFFAOYSA-N
MW276.47 g/mol
LogP2.98
Rot. Bonds10

About trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium

trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium (PubChem CID 122186578) has the molecular formula C14H30NO2S+ and a molecular weight of 276.47 g/mol. Its IUPAC name is trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium.

Molecular Properties

Compound Nametrimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium
PubChem CID122186578
Molecular FormulaC14H30NO2S+
Molecular Weight276.47 g/mol
Exact Mass276.20
IUPAC Nametrimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium
SMILESC=C(CCCCCC)S(=O)(=O)CCC[N+](C)(C)C
InChIInChI=1S/C14H30NO2S/c1-6-7-8-9-11-14(2)18(16,17)13-10-12-15(3,4)5/h2,6-13H2,1,3-5H3/q+1
InChIKeyZKLPISNLPCRFFP-UHFFFAOYSA-N
XLogP2.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium?
The IUPAC name of trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium (CID 122186578) is trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium.
What is the SMILES notation for trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium?
The canonical SMILES for trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium is C=C(CCCCCC)S(=O)(=O)CCC[N+](C)(C)C.
What is the InChIKey of trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium?
The InChIKey is ZKLPISNLPCRFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO2S/c1-6-7-8-9-11-14(2)18(16,17)13-10-12-15(3,4)5/h2,6-13H2,1,3-5H3/q+1.
What are the key properties of trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium?
trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium has a molecular weight of 276.47 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-oct-1-en-2-ylsulfonylpropyl)azanium is sourced from PubChem (CID 122186578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).