dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium

C11H28NO3SSi+ — CID 160815943

IUPACdimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium
SMILESC[N+](C)(CCC[Si](C)(C)C)CCCS(=O)(=O)O
InChIInChI=1S/C11H27NO3SSi/c1-12(2,8-6-10-16(13,14)15)9-7-11-17(3,4)5/h6-11H2,1-5H3/p+1
InChIKeyWWTJBWYECJMRHE-UHFFFAOYSA-O
MW282.50 g/mol
LogP2.07
Rot. Bonds8

About dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium

dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium (PubChem CID 160815943) has the molecular formula C11H28NO3SSi+ and a molecular weight of 282.50 g/mol. Its IUPAC name is dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium.

Molecular Properties

Compound Namedimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium
PubChem CID160815943
Molecular FormulaC11H28NO3SSi+
Molecular Weight282.50 g/mol
Exact Mass282.16
IUPAC Namedimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium
SMILESC[N+](C)(CCC[Si](C)(C)C)CCCS(=O)(=O)O
InChIInChI=1S/C11H27NO3SSi/c1-12(2,8-6-10-16(13,14)15)9-7-11-17(3,4)5/h6-11H2,1-5H3/p+1
InChIKeyWWTJBWYECJMRHE-UHFFFAOYSA-O
XLogP2.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium with MolForge

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

Launch Full Analysis

Related Compounds

12-[dimethyl(4-sulfobutyl)azaniumyl]dodecyl-dimethyl-(4-sulfobutyl)azanium
CID 10649858
sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate
CID 173008063
12-[dimethyl(3-sulfopropyl)azaniumyl]dodecyl-dodecyl-dimethylazanium
CID 15497410
8-[dimethyl(3-sulfopropyl)azaniumyl]octyl-dodecyl-dimethylazanium
CID 11753426
ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
CID 22486480
(4-amino-4-oxobutyl)-dimethyl-(3-sulfopropyl)azanium
CID 122550419
butyl-[2-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium
CID 88530452
2-acetyloxyethyl-dimethyl-(3-sulfopropyl)azanium
CID 58841216
3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium
CID 123400119
dimethyl-prop-2-ynyl-(3-sulfopropyl)azanium iodide
CID 146629341
dimethyl-[10-(prop-2-enoylamino)decyl]-(3-sulfopropyl)azanium
CID 118143888
dimethyl-[8-(2-methylprop-2-enoylamino)octyl]-(3-sulfopropyl)azanium
CID 122622475

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium?
The IUPAC name of dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium (CID 160815943) is dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium.
What is the SMILES notation for dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium?
The canonical SMILES for dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium is C[N+](C)(CCC[Si](C)(C)C)CCCS(=O)(=O)O.
What is the InChIKey of dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium?
The InChIKey is WWTJBWYECJMRHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H27NO3SSi/c1-12(2,8-6-10-16(13,14)15)9-7-11-17(3,4)5/h6-11H2,1-5H3/p+1.
What are the key properties of dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium?
dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium has a molecular weight of 282.50 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium is sourced from PubChem (CID 160815943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).