sodium;tert-butylsulfamic acid;hydride

C4H12NNaO3S — CID 174641286

IUPACsodium;tert-butylsulfamic acid;hydride
SMILESCC(C)(C)NS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H11NO3S.Na.H/c1-4(2,3)5-9(6,7)8;;/h5H,1-3H3,(H,6,7,8);;/q;+1;-1
InChIKeyIHHJJNZYDRSWDF-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.71
Rot. Bonds1

About sodium;tert-butylsulfamic acid;hydride

sodium;tert-butylsulfamic acid;hydride (PubChem CID 174641286) has the molecular formula C4H12NNaO3S and a molecular weight of 177.20 g/mol. Its IUPAC name is sodium;tert-butylsulfamic acid;hydride.

Molecular Properties

Compound Namesodium;tert-butylsulfamic acid;hydride
PubChem CID174641286
Molecular FormulaC4H12NNaO3S
Molecular Weight177.20 g/mol
Exact Mass177.04
IUPAC Namesodium;tert-butylsulfamic acid;hydride
SMILESCC(C)(C)NS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C4H11NO3S.Na.H/c1-4(2,3)5-9(6,7)8;;/h5H,1-3H3,(H,6,7,8);;/q;+1;-1
InChIKeyIHHJJNZYDRSWDF-UHFFFAOYSA-N
XLogP-2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;tert-butylsulfamic acid;hydride?
The IUPAC name of sodium;tert-butylsulfamic acid;hydride (CID 174641286) is sodium;tert-butylsulfamic acid;hydride.
What is the SMILES notation for sodium;tert-butylsulfamic acid;hydride?
The canonical SMILES for sodium;tert-butylsulfamic acid;hydride is CC(C)(C)NS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;tert-butylsulfamic acid;hydride?
The InChIKey is IHHJJNZYDRSWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.Na.H/c1-4(2,3)5-9(6,7)8;;/h5H,1-3H3,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;tert-butylsulfamic acid;hydride?
sodium;tert-butylsulfamic acid;hydride has a molecular weight of 177.20 g/mol, XLogP of -2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butylsulfamic acid;hydride is sourced from PubChem (CID 174641286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).