sodium;hydride;sulfo 2,2-dimethylpropanoate

C5H11NaO5S — CID 174143943

IUPACsodium;hydride;sulfo 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C5H10O5S.Na.H/c1-5(2,3)4(6)10-11(7,8)9;;/h1-3H3,(H,7,8,9);;/q;+1;-1
InChIKeyHNODVCAFJOULME-UHFFFAOYSA-N
MW206.19 g/mol
LogP-2.51
Rot. Bonds1

About sodium;hydride;sulfo 2,2-dimethylpropanoate

sodium;hydride;sulfo 2,2-dimethylpropanoate (PubChem CID 174143943) has the molecular formula C5H11NaO5S and a molecular weight of 206.19 g/mol. Its IUPAC name is sodium;hydride;sulfo 2,2-dimethylpropanoate.

Molecular Properties

Compound Namesodium;hydride;sulfo 2,2-dimethylpropanoate
PubChem CID174143943
Molecular FormulaC5H11NaO5S
Molecular Weight206.19 g/mol
Exact Mass206.02
IUPAC Namesodium;hydride;sulfo 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C5H10O5S.Na.H/c1-5(2,3)4(6)10-11(7,8)9;;/h1-3H3,(H,7,8,9);;/q;+1;-1
InChIKeyHNODVCAFJOULME-UHFFFAOYSA-N
XLogP-2.51
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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dicalcium;disulfo carbonate;hydride;zinc
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dicalcium;disulfo carbonate;hydride;manganese
CID 175398142
disulfo carbonate;bis(λ2-plumbane)
CID 173043440
potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate
CID 174241063
sodium 3-ethyl-3-sulfooxycarbonylpentanoate
CID 87553437
lithium;formyl 2,2-dimethylpropanoate;hydride
CID 174785944
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
CID 173224228
tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
CID 175369181
sodium;hydride;methylsulfonyl 2,2,2-trifluoroacetate
CID 175105872

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;sulfo 2,2-dimethylpropanoate?
The IUPAC name of sodium;hydride;sulfo 2,2-dimethylpropanoate (CID 174143943) is sodium;hydride;sulfo 2,2-dimethylpropanoate.
What is the SMILES notation for sodium;hydride;sulfo 2,2-dimethylpropanoate?
The canonical SMILES for sodium;hydride;sulfo 2,2-dimethylpropanoate is CC(C)(C)C(=O)OS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;sulfo 2,2-dimethylpropanoate?
The InChIKey is HNODVCAFJOULME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S.Na.H/c1-5(2,3)4(6)10-11(7,8)9;;/h1-3H3,(H,7,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;sulfo 2,2-dimethylpropanoate?
sodium;hydride;sulfo 2,2-dimethylpropanoate has a molecular weight of 206.19 g/mol, XLogP of -2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;sulfo 2,2-dimethylpropanoate is sourced from PubChem (CID 174143943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).