POTASSIUM CYCLAMATE--PROHIBITED

General Information

Mainterm	POTASSIUM CYCLAMATE--PROHIBITED
Doc Type	BAN
CAS Reg.No.(or other ID)	7758-04-5
Regnum	189.135

From www.fda.gov

Computed Descriptors

2D Structure
CID	23675766
IUPAC Name	potassium;N-cyclohexylsulfamate
InChI	InChI=1S/C6H13NO3S.K/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChI Key	PALPTWOXTUVPKA-UHFFFAOYSA-M
Canonical SMILES	C1CCC(CC1)NS(=O)(=O)[O-].[K+]
Molecular Formula	C6H12KNO3S
Wikipedia	potassium cyclamate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	217.324
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Complexity	205.0
CACTVS Substructure Key Fingerprint	A A A D c c B i M A B A Q A A A A A A A A A A A A A A A A A A A A A A w A A A A A A A A A A A A A A A A H A A Q Q A A A C C j B A A Q A A A B A A A A A A A A A A D A A A A A A A A A A A I A A A A A A A A I A g A A A A A A A E A A A A A E Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	77.6
Monoisotopic Mass	217.017
Exact Mass	217.017
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	12
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Sulfamic acid derivatives
Subclass	Cyclamates
Intermediate Tree Nodes	Not available
Direct Parent	Cyclamates
Alternative Parents	Organopnictogen compounds Organic potassium salts Hydrocarbon derivatives Organic oxides Sulfuric acid monoamides Organonitrogen compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclamic_acid_derivative - Sulfuric acid monoamide - Organic sulfuric acid or derivatives - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organonitrogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclamates. These are compounds containing a cyclohexylsulfamic acid moiety.

From ClassyFire