azane;sulfuric acid;1-undecoxyundecane

C22H54N2O5S — CID 174702560

IUPACazane;sulfuric acid;1-undecoxyundecane
SMILESCCCCCCCCCCCOCCCCCCCCCCC.N.N.O=S(=O)(O)O
InChIInChI=1S/C22H46O.2H3N.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h3-22H2,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyFYIAZTOVGKKCKR-UHFFFAOYSA-N
MW458.75 g/mol
LogP7.74
Rot. Bonds20

About azane;sulfuric acid;1-undecoxyundecane

azane;sulfuric acid;1-undecoxyundecane (PubChem CID 174702560) has the molecular formula C22H54N2O5S and a molecular weight of 458.75 g/mol. Its IUPAC name is azane;sulfuric acid;1-undecoxyundecane.

Molecular Properties

Compound Nameazane;sulfuric acid;1-undecoxyundecane
PubChem CID174702560
Molecular FormulaC22H54N2O5S
Molecular Weight458.75 g/mol
Exact Mass458.38
IUPAC Nameazane;sulfuric acid;1-undecoxyundecane
SMILESCCCCCCCCCCCOCCCCCCCCCCC.N.N.O=S(=O)(O)O
InChIInChI=1S/C22H46O.2H3N.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h3-22H2,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyFYIAZTOVGKKCKR-UHFFFAOYSA-N
XLogP7.74
TPSA153.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.75
LogP ≤ 57.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;sulfuric acid;1-undecoxyundecane?
The IUPAC name of azane;sulfuric acid;1-undecoxyundecane (CID 174702560) is azane;sulfuric acid;1-undecoxyundecane.
What is the SMILES notation for azane;sulfuric acid;1-undecoxyundecane?
The canonical SMILES for azane;sulfuric acid;1-undecoxyundecane is CCCCCCCCCCCOCCCCCCCCCCC.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;sulfuric acid;1-undecoxyundecane?
The InChIKey is FYIAZTOVGKKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O.2H3N.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h3-22H2,1-2H3;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;sulfuric acid;1-undecoxyundecane?
azane;sulfuric acid;1-undecoxyundecane has a molecular weight of 458.75 g/mol, XLogP of 7.74, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfuric acid;1-undecoxyundecane is sourced from PubChem (CID 174702560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).