sulfuric acid;2-tridecylguanidine

C14H33N3O4S — CID 54601090

IUPACsulfuric acid;2-tridecylguanidine
SMILESCCCCCCCCCCCCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C14H31N3.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(15)16;1-5(2,3)4/h2-13H2,1H3,(H4,15,16,17);(H2,1,2,3,4)
InChIKeyTYETYSBJSNVGBY-UHFFFAOYSA-N
MW339.50 g/mol
LogP2.92
Rot. Bonds12

About sulfuric acid;2-tridecylguanidine

sulfuric acid;2-tridecylguanidine (PubChem CID 54601090) has the molecular formula C14H33N3O4S and a molecular weight of 339.50 g/mol. Its IUPAC name is sulfuric acid;2-tridecylguanidine.

Molecular Properties

Compound Namesulfuric acid;2-tridecylguanidine
PubChem CID54601090
Molecular FormulaC14H33N3O4S
Molecular Weight339.50 g/mol
Exact Mass339.22
IUPAC Namesulfuric acid;2-tridecylguanidine
SMILESCCCCCCCCCCCCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C14H31N3.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(15)16;1-5(2,3)4/h2-13H2,1H3,(H4,15,16,17);(H2,1,2,3,4)
InChIKeyTYETYSBJSNVGBY-UHFFFAOYSA-N
XLogP2.92
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;2-tridecylguanidine?
The IUPAC name of sulfuric acid;2-tridecylguanidine (CID 54601090) is sulfuric acid;2-tridecylguanidine.
What is the SMILES notation for sulfuric acid;2-tridecylguanidine?
The canonical SMILES for sulfuric acid;2-tridecylguanidine is CCCCCCCCCCCCCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;2-tridecylguanidine?
The InChIKey is TYETYSBJSNVGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(15)16;1-5(2,3)4/h2-13H2,1H3,(H4,15,16,17);(H2,1,2,3,4).
What are the key properties of sulfuric acid;2-tridecylguanidine?
sulfuric acid;2-tridecylguanidine has a molecular weight of 339.50 g/mol, XLogP of 2.92, 12 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;2-tridecylguanidine is sourced from PubChem (CID 54601090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).