Sulfamic acid, reaction products with diethylenetriamine

C4H16N4O3S — CID 90659467

IUPAC—
SMILESNCCNCCN.[NH3+]S(=O)(=O)[O-]
InChIInChI=1S/C4H13N3.H3NO3S/c5-1-3-7-4-2-6;1-5(2,3)4/h7H,1-6H2;(H3,1,2,3,4)
InChIKeyYNDRDSXFSQZZKD-UHFFFAOYSA-N
MW200.26 g/mol
LogP-3.82
Rot. Bonds4

About Sulfamic acid, reaction products with diethylenetriamine

Sulfamic acid, reaction products with diethylenetriamine (PubChem CID 90659467) has the molecular formula C4H16N4O3S and a molecular weight of 200.26 g/mol.

Molecular Properties

Compound NameSulfamic acid, reaction products with diethylenetriamine
PubChem CID90659467
Molecular FormulaC4H16N4O3S
Molecular Weight200.26 g/mol
Exact Mass200.09
IUPAC Name—
SMILESNCCNCCN.[NH3+]S(=O)(=O)[O-]
InChIInChI=1S/C4H13N3.H3NO3S/c5-1-3-7-4-2-6;1-5(2,3)4/h7H,1-6H2;(H3,1,2,3,4)
InChIKeyYNDRDSXFSQZZKD-UHFFFAOYSA-N
XLogP-3.82
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-3.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of Sulfamic acid, reaction products with diethylenetriamine?
The IUPAC name of Sulfamic acid, reaction products with diethylenetriamine (CID 90659467) is not available.
What is the SMILES notation for Sulfamic acid, reaction products with diethylenetriamine?
The canonical SMILES for Sulfamic acid, reaction products with diethylenetriamine is NCCNCCN.[NH3+]S(=O)(=O)[O-].
What is the InChIKey of Sulfamic acid, reaction products with diethylenetriamine?
The InChIKey is YNDRDSXFSQZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.H3NO3S/c5-1-3-7-4-2-6;1-5(2,3)4/h7H,1-6H2;(H3,1,2,3,4).
What are the key properties of Sulfamic acid, reaction products with diethylenetriamine?
Sulfamic acid, reaction products with diethylenetriamine has a molecular weight of 200.26 g/mol, XLogP of -3.82, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfamic acid, reaction products with diethylenetriamine is sourced from PubChem (CID 90659467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).