magnesium;cyclohexyl sulfamate;dihydrate

C6H17MgNO5S+2 — CID 20975864

IUPACmagnesium;cyclohexyl sulfamate;dihydrate
SMILESNS(=O)(=O)OC1CCCCC1.O.O.[Mg+2]
InChIInChI=1S/C6H13NO3S.Mg.2H2O/c7-11(8,9)10-6-4-2-1-3-5-6;;;/h6H,1-5H2,(H2,7,8,9);;2*1H2/q;+2;;
InChIKeyNYQGRXUGEJDQQF-UHFFFAOYSA-N
MW239.58 g/mol
LogP-1.49
Rot. Bonds2

About magnesium;cyclohexyl sulfamate;dihydrate

magnesium;cyclohexyl sulfamate;dihydrate (PubChem CID 20975864) has the molecular formula C6H17MgNO5S+2 and a molecular weight of 239.58 g/mol. Its IUPAC name is magnesium;cyclohexyl sulfamate;dihydrate.

Molecular Properties

Compound Namemagnesium;cyclohexyl sulfamate;dihydrate
PubChem CID20975864
Molecular FormulaC6H17MgNO5S+2
Molecular Weight239.58 g/mol
Exact Mass239.07
IUPAC Namemagnesium;cyclohexyl sulfamate;dihydrate
SMILESNS(=O)(=O)OC1CCCCC1.O.O.[Mg+2]
InChIInChI=1S/C6H13NO3S.Mg.2H2O/c7-11(8,9)10-6-4-2-1-3-5-6;;;/h6H,1-5H2,(H2,7,8,9);;2*1H2/q;+2;;
InChIKeyNYQGRXUGEJDQQF-UHFFFAOYSA-N
XLogP-1.49
TPSA132.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of magnesium;cyclohexyl sulfamate;dihydrate?
The IUPAC name of magnesium;cyclohexyl sulfamate;dihydrate (CID 20975864) is magnesium;cyclohexyl sulfamate;dihydrate.
What is the SMILES notation for magnesium;cyclohexyl sulfamate;dihydrate?
The canonical SMILES for magnesium;cyclohexyl sulfamate;dihydrate is NS(=O)(=O)OC1CCCCC1.O.O.[Mg+2].
What is the InChIKey of magnesium;cyclohexyl sulfamate;dihydrate?
The InChIKey is NYQGRXUGEJDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.Mg.2H2O/c7-11(8,9)10-6-4-2-1-3-5-6;;;/h6H,1-5H2,(H2,7,8,9);;2*1H2/q;+2;;.
What are the key properties of magnesium;cyclohexyl sulfamate;dihydrate?
magnesium;cyclohexyl sulfamate;dihydrate has a molecular weight of 239.58 g/mol, XLogP of -1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclohexyl sulfamate;dihydrate is sourced from PubChem (CID 20975864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).