sodium;3,3-dimethylbutylsulfamic acid;hydride

C6H16NNaO3S — CID 173075108

IUPACsodium;3,3-dimethylbutylsulfamic acid;hydride
SMILESCC(C)(C)CCNS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C6H15NO3S.Na.H/c1-6(2,3)4-5-7-11(8,9)10;;/h7H,4-5H2,1-3H3,(H,8,9,10);;/q;+1;-1
InChIKeyZJNOWQBQEFBQAQ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-2.07
Rot. Bonds3

About sodium;3,3-dimethylbutylsulfamic acid;hydride

sodium;3,3-dimethylbutylsulfamic acid;hydride (PubChem CID 173075108) has the molecular formula C6H16NNaO3S and a molecular weight of 205.25 g/mol. Its IUPAC name is sodium;3,3-dimethylbutylsulfamic acid;hydride.

Molecular Properties

Compound Namesodium;3,3-dimethylbutylsulfamic acid;hydride
PubChem CID173075108
Molecular FormulaC6H16NNaO3S
Molecular Weight205.25 g/mol
Exact Mass205.07
IUPAC Namesodium;3,3-dimethylbutylsulfamic acid;hydride
SMILESCC(C)(C)CCNS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C6H15NO3S.Na.H/c1-6(2,3)4-5-7-11(8,9)10;;/h7H,4-5H2,1-3H3,(H,8,9,10);;/q;+1;-1
InChIKeyZJNOWQBQEFBQAQ-UHFFFAOYSA-N
XLogP-2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-2.07
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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Related Compounds

3,3-Dimethylbutan-2-ylsulfamic acid
CID 20318508
2-Methylbutylsulfamic acid
CID 53672903
3-Methylbutylsulfamic acid
CID 54473409
3,3-Dimethylbutylsulfamic acid
CID 57071357
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
N-(3,3-dimethylbutyl)sulfamate
CID 59847904
4,4-Dimethylpentylsulfamic acid
CID 87283508
potassium N-(3,3-dimethylbutyl)sulfamate
CID 87410607
sodium N-(3,3-dimethylbutyl)sulfamate
CID 87410763
hydroxy N-(3,3-dimethylbutyl)sulfamate
CID 89218255
Potassium;3,3-dimethylbutylsulfamic acid;hydride
CID 173074960
3,3-Dimethylbutan-1-amine;methyl hydrogen sulfate
CID 173231771

Frequently Asked Questions

What is the IUPAC name of sodium;3,3-dimethylbutylsulfamic acid;hydride?
The IUPAC name of sodium;3,3-dimethylbutylsulfamic acid;hydride (CID 173075108) is sodium;3,3-dimethylbutylsulfamic acid;hydride.
What is the SMILES notation for sodium;3,3-dimethylbutylsulfamic acid;hydride?
The canonical SMILES for sodium;3,3-dimethylbutylsulfamic acid;hydride is CC(C)(C)CCNS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3,3-dimethylbutylsulfamic acid;hydride?
The InChIKey is ZJNOWQBQEFBQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S.Na.H/c1-6(2,3)4-5-7-11(8,9)10;;/h7H,4-5H2,1-3H3,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;3,3-dimethylbutylsulfamic acid;hydride?
sodium;3,3-dimethylbutylsulfamic acid;hydride has a molecular weight of 205.25 g/mol, XLogP of -2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,3-dimethylbutylsulfamic acid;hydride is sourced from PubChem (CID 173075108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).