sodium;azane;tert-butyl hydrogen sulfate;hydride

C4H14NNaO4S — CID 173398324

IUPACsodium;azane;tert-butyl hydrogen sulfate;hydride
SMILESCC(C)(C)OS(=O)(=O)O.N.[H-].[Na+]
InChIInChI=1S/C4H10O4S.H3N.Na.H/c1-4(2,3)8-9(5,6)7;;;/h1-3H3,(H,5,6,7);1H3;;/q;;+1;-1
InChIKeyKLNDGCWTXKXRNQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-2.12
Rot. Bonds1

About sodium;azane;tert-butyl hydrogen sulfate;hydride

sodium;azane;tert-butyl hydrogen sulfate;hydride (PubChem CID 173398324) has the molecular formula C4H14NNaO4S and a molecular weight of 195.22 g/mol. Its IUPAC name is sodium;azane;tert-butyl hydrogen sulfate;hydride.

Molecular Properties

Compound Namesodium;azane;tert-butyl hydrogen sulfate;hydride
PubChem CID173398324
Molecular FormulaC4H14NNaO4S
Molecular Weight195.22 g/mol
Exact Mass195.05
IUPAC Namesodium;azane;tert-butyl hydrogen sulfate;hydride
SMILESCC(C)(C)OS(=O)(=O)O.N.[H-].[Na+]
InChIInChI=1S/C4H10O4S.H3N.Na.H/c1-4(2,3)8-9(5,6)7;;;/h1-3H3,(H,5,6,7);1H3;;/q;;+1;-1
InChIKeyKLNDGCWTXKXRNQ-UHFFFAOYSA-N
XLogP-2.12
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,2-pentasulfooxyethyl hydrogen sulfate
CID 118489560
2-hydroxypropan-2-yl hydrogen sulfate
CID 57168677
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
CID 173224228
2-tert-butylperoxypropan-2-yl hydrogen sulfate
CID 175210305
sodium;hydride;sulfo 2,2-dimethylpropanoate
CID 174143943
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) hydrogen sulfate
CID 87625622
(1,1,2,2-tetrahydroxy-2-sulfooxyethyl) hydrogen sulfate
CID 75593299
sodium;hydride;sulfo acetate
CID 173308098
2-fluorobutan-2-yl hydrogen sulfate
CID 87625275
sodium tert-butyl oxido sulfate
CID 141117245
tert-butyl trifluoromethanesulfonate;copper
CID 175096484
(2-hydroxy-1-sulfooxypropan-2-yl) hydrogen sulfate
CID 18459347

Frequently Asked Questions

What is the IUPAC name of sodium;azane;tert-butyl hydrogen sulfate;hydride?
The IUPAC name of sodium;azane;tert-butyl hydrogen sulfate;hydride (CID 173398324) is sodium;azane;tert-butyl hydrogen sulfate;hydride.
What is the SMILES notation for sodium;azane;tert-butyl hydrogen sulfate;hydride?
The canonical SMILES for sodium;azane;tert-butyl hydrogen sulfate;hydride is CC(C)(C)OS(=O)(=O)O.N.[H-].[Na+].
What is the InChIKey of sodium;azane;tert-butyl hydrogen sulfate;hydride?
The InChIKey is KLNDGCWTXKXRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S.H3N.Na.H/c1-4(2,3)8-9(5,6)7;;;/h1-3H3,(H,5,6,7);1H3;;/q;;+1;-1.
What are the key properties of sodium;azane;tert-butyl hydrogen sulfate;hydride?
sodium;azane;tert-butyl hydrogen sulfate;hydride has a molecular weight of 195.22 g/mol, XLogP of -2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;tert-butyl hydrogen sulfate;hydride is sourced from PubChem (CID 173398324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).