bis(2-methylpropyl)sulfamic acid

C8H19NO3S — CID 22157027

IUPACbis(2-methylpropyl)sulfamic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-7(2)5-9(6-8(3)4)13(10,11)12/h7-8H,5-6H2,1-4H3,(H,10,11,12)
InChIKeyZVKZVKWNVILEOS-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.40
Rot. Bonds5

About bis(2-methylpropyl)sulfamic acid

bis(2-methylpropyl)sulfamic acid (PubChem CID 22157027) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is bis(2-methylpropyl)sulfamic acid.

Molecular Properties

Compound Namebis(2-methylpropyl)sulfamic acid
PubChem CID22157027
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Namebis(2-methylpropyl)sulfamic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-7(2)5-9(6-8(3)4)13(10,11)12/h7-8H,5-6H2,1-4H3,(H,10,11,12)
InChIKeyZVKZVKWNVILEOS-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
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 bis(2-methylpropyl)sulfamic acid?
The IUPAC name of bis(2-methylpropyl)sulfamic acid (CID 22157027) is bis(2-methylpropyl)sulfamic acid.
What is the SMILES notation for bis(2-methylpropyl)sulfamic acid?
The canonical SMILES for bis(2-methylpropyl)sulfamic acid is CC(C)CN(CC(C)C)S(=O)(=O)O.
What is the InChIKey of bis(2-methylpropyl)sulfamic acid?
The InChIKey is ZVKZVKWNVILEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(2)5-9(6-8(3)4)13(10,11)12/h7-8H,5-6H2,1-4H3,(H,10,11,12).
What are the key properties of bis(2-methylpropyl)sulfamic acid?
bis(2-methylpropyl)sulfamic acid has a molecular weight of 209.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)sulfamic acid is sourced from PubChem (CID 22157027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).