bis(N-cyclohexylhydroxylamine);sulfuric acid

C12H28N2O6S — CID 138397329

IUPACbis(N-cyclohexylhydroxylamine);sulfuric acid
SMILESO=S(=O)(O)O.ONC1CCCCC1.ONC1CCCCC1
InChIInChI=1S/2C6H13NO.H2O4S/c2*8-7-6-4-2-1-3-5-6;1-5(2,3)4/h2*6-8H,1-5H2;(H2,1,2,3,4)
InChIKeyUGHVGLHFWTYQOX-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.94
Rot. Bonds2

About bis(N-cyclohexylhydroxylamine);sulfuric acid

bis(N-cyclohexylhydroxylamine);sulfuric acid (PubChem CID 138397329) has the molecular formula C12H28N2O6S and a molecular weight of 328.43 g/mol. Its IUPAC name is bis(N-cyclohexylhydroxylamine);sulfuric acid.

Molecular Properties

Compound Namebis(N-cyclohexylhydroxylamine);sulfuric acid
PubChem CID138397329
Molecular FormulaC12H28N2O6S
Molecular Weight328.43 g/mol
Exact Mass328.17
IUPAC Namebis(N-cyclohexylhydroxylamine);sulfuric acid
SMILESO=S(=O)(O)O.ONC1CCCCC1.ONC1CCCCC1
InChIInChI=1S/2C6H13NO.H2O4S/c2*8-7-6-4-2-1-3-5-6;1-5(2,3)4/h2*6-8H,1-5H2;(H2,1,2,3,4)
InChIKeyUGHVGLHFWTYQOX-UHFFFAOYSA-N
XLogP1.94
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.43
LogP ≤ 51.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(N-cyclohexylhydroxylamine);sulfuric acid?
The IUPAC name of bis(N-cyclohexylhydroxylamine);sulfuric acid (CID 138397329) is bis(N-cyclohexylhydroxylamine);sulfuric acid.
What is the SMILES notation for bis(N-cyclohexylhydroxylamine);sulfuric acid?
The canonical SMILES for bis(N-cyclohexylhydroxylamine);sulfuric acid is O=S(=O)(O)O.ONC1CCCCC1.ONC1CCCCC1.
What is the InChIKey of bis(N-cyclohexylhydroxylamine);sulfuric acid?
The InChIKey is UGHVGLHFWTYQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO.H2O4S/c2*8-7-6-4-2-1-3-5-6;1-5(2,3)4/h2*6-8H,1-5H2;(H2,1,2,3,4).
What are the key properties of bis(N-cyclohexylhydroxylamine);sulfuric acid?
bis(N-cyclohexylhydroxylamine);sulfuric acid has a molecular weight of 328.43 g/mol, XLogP of 1.94, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-cyclohexylhydroxylamine);sulfuric acid is sourced from PubChem (CID 138397329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).