sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate

C6H19NaO4SSi — CID 173008063

IUPACsodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate
SMILESC[Si](C)(C)CCCS(=O)(=O)O.O.[H-].[Na+]
InChIInChI=1S/C6H16O3SSi.Na.H2O.H/c1-11(2,3)6-4-5-10(7,8)9;;;/h4-6H2,1-3H3,(H,7,8,9);;1H2;/q;+1;;-1
InChIKeyKKNMJZMELYKRAS-UHFFFAOYSA-N
MW238.36 g/mol
LogP-2.11
Rot. Bonds4

About sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate

sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate (PubChem CID 173008063) has the molecular formula C6H19NaO4SSi and a molecular weight of 238.36 g/mol. Its IUPAC name is sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate.

Molecular Properties

Compound Namesodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate
PubChem CID173008063
Molecular FormulaC6H19NaO4SSi
Molecular Weight238.36 g/mol
Exact Mass238.07
IUPAC Namesodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate
SMILESC[Si](C)(C)CCCS(=O)(=O)O.O.[H-].[Na+]
InChIInChI=1S/C6H16O3SSi.Na.H2O.H/c1-11(2,3)6-4-5-10(7,8)9;;;/h4-6H2,1-3H3,(H,7,8,9);;1H2;/q;+1;;-1
InChIKeyKKNMJZMELYKRAS-UHFFFAOYSA-N
XLogP-2.11
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 5-2.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate 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

dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium
CID 160815943
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
pentane-1,5-disulfonic acid;hydrate
CID 133062445
3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid
CID 140958060
sodium;acetonitrile;hydride;pentane-1-sulfonic acid
CID 174894777
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
sodium;butane-1-sulfonic acid;hydroxide
CID 175272255
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
CID 88853027
CID 88853027
octane-1,8-disulfonic acid
CID 18172926
methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid
CID 161452925

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate?
The IUPAC name of sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate (CID 173008063) is sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate.
What is the SMILES notation for sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate?
The canonical SMILES for sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate is C[Si](C)(C)CCCS(=O)(=O)O.O.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate?
The InChIKey is KKNMJZMELYKRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi.Na.H2O.H/c1-11(2,3)6-4-5-10(7,8)9;;;/h4-6H2,1-3H3,(H,7,8,9);;1H2;/q;+1;;-1.
What are the key properties of sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate?
sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate has a molecular weight of 238.36 g/mol, XLogP of -2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate is sourced from PubChem (CID 173008063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).