Sulfamic acid, reaction products with triethylenetetramine

C6H21N5O3S — CID 90659468

IUPAC—
SMILESNCCNCCNCCN.[NH3+]S(=O)(=O)[O-]
InChIInChI=1S/C6H18N4.H3NO3S/c7-1-3-9-5-6-10-4-2-8;1-5(2,3)4/h9-10H,1-8H2;(H3,1,2,3,4)
InChIKeyWOZDWQIWDANLPI-UHFFFAOYSA-N
MW243.33 g/mol
LogP-4.23
Rot. Bonds7

About Sulfamic acid, reaction products with triethylenetetramine

Sulfamic acid, reaction products with triethylenetetramine (PubChem CID 90659468) has the molecular formula C6H21N5O3S and a molecular weight of 243.33 g/mol.

Molecular Properties

Compound NameSulfamic acid, reaction products with triethylenetetramine
PubChem CID90659468
Molecular FormulaC6H21N5O3S
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name—
SMILESNCCNCCNCCN.[NH3+]S(=O)(=O)[O-]
InChIInChI=1S/C6H18N4.H3NO3S/c7-1-3-9-5-6-10-4-2-8;1-5(2,3)4/h9-10H,1-8H2;(H3,1,2,3,4)
InChIKeyWOZDWQIWDANLPI-UHFFFAOYSA-N
XLogP-4.23
TPSA160.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-4.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 triethylenetetramine?
The IUPAC name of Sulfamic acid, reaction products with triethylenetetramine (CID 90659468) is not available.
What is the SMILES notation for Sulfamic acid, reaction products with triethylenetetramine?
The canonical SMILES for Sulfamic acid, reaction products with triethylenetetramine is NCCNCCNCCN.[NH3+]S(=O)(=O)[O-].
What is the InChIKey of Sulfamic acid, reaction products with triethylenetetramine?
The InChIKey is WOZDWQIWDANLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.H3NO3S/c7-1-3-9-5-6-10-4-2-8;1-5(2,3)4/h9-10H,1-8H2;(H3,1,2,3,4).
What are the key properties of Sulfamic acid, reaction products with triethylenetetramine?
Sulfamic acid, reaction products with triethylenetetramine has a molecular weight of 243.33 g/mol, XLogP of -4.23, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfamic acid, reaction products with triethylenetetramine is sourced from PubChem (CID 90659468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).