Compound Summary for: CID 8751

Molecular Formula: C6H12NNaO3S   Molecular Weight: 201.219149   InChIKey: UDIPTWFVPPPURJ-UHFFFAOYSA-M
Compound Information
CID 8751
Create Date: 2005-08-08
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 201.219149 [g/mol]
Molecular FormulaC6H12NNaO3S
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count1
Exact Mass201.043559
MonoIsotopic Mass201.043559
Topological Polar Surface Area77.6
Heavy Atom Count12
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Namesodium;N-cyclohexylsulfamate
InChIInChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChIKeyUDIPTWFVPPPURJ-UHFFFAOYSA-M
Canonical SMILESC1CCC(CC1)NS(=O)(=O)[O-].[Na+]
Isomeric SMILESC1CCC(CC1)NS(=O)(=O)[O-].[Na+]
Old Version Substance Information