magnesium cyclohexylsulfamic acid

C6H13MgNO3S+2 — CID 24438

IUPACmagnesium cyclohexylsulfamic acid
SMILESO=S(=O)(O)NC1CCCCC1.[Mg+2]
InChIInChI=1S/C6H13NO3S.Mg/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+2
InChIKeyCFTUWMFDKZOCIO-UHFFFAOYSA-N
MW203.55 g/mol
LogP0.33
Rot. Bonds2

About magnesium cyclohexylsulfamic acid

magnesium cyclohexylsulfamic acid (PubChem CID 24438) has the molecular formula C6H13MgNO3S+2 and a molecular weight of 203.55 g/mol. Its IUPAC name is magnesium cyclohexylsulfamic acid.

Molecular Properties

Compound Namemagnesium cyclohexylsulfamic acid
PubChem CID24438
Molecular FormulaC6H13MgNO3S+2
Molecular Weight203.55 g/mol
Exact Mass203.05
IUPAC Namemagnesium cyclohexylsulfamic acid
SMILESO=S(=O)(O)NC1CCCCC1.[Mg+2]
InChIInChI=1S/C6H13NO3S.Mg/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+2
InChIKeyCFTUWMFDKZOCIO-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.55
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclamate
CID 7533
Sodium Cyclamate
CID 23665706
Potassium Cyclamate
CID 23675766
Cyclohexylsulfamate
CID 3372845
N-cyclohexylsulfamide
CID 12355590
CID 139063605
CID 139063605
Cyclohexanamine, sulfate (1:1)
CID 88275
Cyclohexylsulfamyl chloride
CID 12914615
Monocyclohexyl ammonium hydrogen sulphate
CID 5284372
Ammonium cyclohexylsulfamate
CID 9877636
Aminocyclohexylsulfonic acid, sodium salt
CID 24185711
amino N-cyclohexylsulfamate
CID 53698930

Frequently Asked Questions

What is the IUPAC name of magnesium cyclohexylsulfamic acid?
The IUPAC name of magnesium cyclohexylsulfamic acid (CID 24438) is magnesium cyclohexylsulfamic acid.
What is the SMILES notation for magnesium cyclohexylsulfamic acid?
The canonical SMILES for magnesium cyclohexylsulfamic acid is O=S(=O)(O)NC1CCCCC1.[Mg+2].
What is the InChIKey of magnesium cyclohexylsulfamic acid?
The InChIKey is CFTUWMFDKZOCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.Mg/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+2.
What are the key properties of magnesium cyclohexylsulfamic acid?
magnesium cyclohexylsulfamic acid has a molecular weight of 203.55 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium cyclohexylsulfamic acid is sourced from PubChem (CID 24438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).