methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium

C11H21NO2S — CID 58100790

IUPACmethyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCS(=C)(=O)[O-]
InChIInChI=1S/C11H21NO2S/c1-5-8-12(3,9-6-2)10-7-11-15(4,13)14/h5-6H,1-2,4,7-11H2,3H3
InChIKeyFKTHGLTWGQUJTQ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.04
Rot. Bonds8

About methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium

methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium (PubChem CID 58100790) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namemethyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium
PubChem CID58100790
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namemethyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CCCS(=C)(=O)[O-]
InChIInChI=1S/C11H21NO2S/c1-5-8-12(3,9-6-2)10-7-11-15(4,13)14/h5-6H,1-2,4,7-11H2,3H3
InChIKeyFKTHGLTWGQUJTQ-UHFFFAOYSA-N
XLogP1.04
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.04
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium?
The IUPAC name of methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium (CID 58100790) is methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium.
What is the SMILES notation for methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium?
The canonical SMILES for methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)CCCS(=C)(=O)[O-].
What is the InChIKey of methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium?
The InChIKey is FKTHGLTWGQUJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-5-8-12(3,9-6-2)10-7-11-15(4,13)14/h5-6H,1-2,4,7-11H2,3H3.
What are the key properties of methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium?
methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium has a molecular weight of 231.36 g/mol, XLogP of 1.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(methylidene-oxido-oxo-λ6-sulfanyl)propyl]-bis(prop-2-enyl)azanium is sourced from PubChem (CID 58100790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).