methanesulfonate;2-methylbutan-2-ylazanium

C6H17NO3S — CID 87143358

IUPACmethanesulfonate;2-methylbutan-2-ylazanium
SMILESCCC(C)(C)[NH3+].CS(=O)(=O)[O-]
InChIInChI=1S/C5H13N.CH4O3S/c1-4-5(2,3)6;1-5(2,3)4/h4,6H2,1-3H3;1H3,(H,2,3,4)
InChIKeyAXVSNHZXCYGRDE-UHFFFAOYSA-N
MW183.27 g/mol
LogP-0.42
Rot. Bonds1

About methanesulfonate;2-methylbutan-2-ylazanium

methanesulfonate;2-methylbutan-2-ylazanium (PubChem CID 87143358) has the molecular formula C6H17NO3S and a molecular weight of 183.27 g/mol. Its IUPAC name is methanesulfonate;2-methylbutan-2-ylazanium.

Molecular Properties

Compound Namemethanesulfonate;2-methylbutan-2-ylazanium
PubChem CID87143358
Molecular FormulaC6H17NO3S
Molecular Weight183.27 g/mol
Exact Mass183.09
IUPAC Namemethanesulfonate;2-methylbutan-2-ylazanium
SMILESCCC(C)(C)[NH3+].CS(=O)(=O)[O-]
InChIInChI=1S/C5H13N.CH4O3S/c1-4-5(2,3)6;1-5(2,3)4/h4,6H2,1-3H3;1H3,(H,2,3,4)
InChIKeyAXVSNHZXCYGRDE-UHFFFAOYSA-N
XLogP-0.42
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methanesulfonate;2-methylbutan-2-ylazanium?
The IUPAC name of methanesulfonate;2-methylbutan-2-ylazanium (CID 87143358) is methanesulfonate;2-methylbutan-2-ylazanium.
What is the SMILES notation for methanesulfonate;2-methylbutan-2-ylazanium?
The canonical SMILES for methanesulfonate;2-methylbutan-2-ylazanium is CCC(C)(C)[NH3+].CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;2-methylbutan-2-ylazanium?
The InChIKey is AXVSNHZXCYGRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.CH4O3S/c1-4-5(2,3)6;1-5(2,3)4/h4,6H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;2-methylbutan-2-ylazanium?
methanesulfonate;2-methylbutan-2-ylazanium has a molecular weight of 183.27 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;2-methylbutan-2-ylazanium is sourced from PubChem (CID 87143358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).