barium(2+);cyclohexylsulfamic acid

C6H13BaNO3S+2 — CID 54605044

IUPACbarium(2+);cyclohexylsulfamic acid
SMILESO=S(=O)(O)NC1CCCCC1.[Ba+2]
InChIInChI=1S/C6H13NO3S.Ba/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+2
InChIKeyUYYVGABAECNPQK-UHFFFAOYSA-N
MW316.57 g/mol
LogP0.33
Rot. Bonds2

About barium(2+);cyclohexylsulfamic acid

barium(2+);cyclohexylsulfamic acid (PubChem CID 54605044) has the molecular formula C6H13BaNO3S+2 and a molecular weight of 316.57 g/mol. Its IUPAC name is barium(2+);cyclohexylsulfamic acid.

Molecular Properties

Compound Namebarium(2+);cyclohexylsulfamic acid
PubChem CID54605044
Molecular FormulaC6H13BaNO3S+2
Molecular Weight316.57 g/mol
Exact Mass316.97
IUPAC Namebarium(2+);cyclohexylsulfamic acid
SMILESO=S(=O)(O)NC1CCCCC1.[Ba+2]
InChIInChI=1S/C6H13NO3S.Ba/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+2
InChIKeyUYYVGABAECNPQK-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 ≤ 500316.57
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
Cyclamate magnesium dihydrate
CID 24438
Monocyclohexyl ammonium hydrogen sulphate
CID 5284372
Ammonium cyclohexylsulfamate
CID 9877636
Aminocyclohexylsulfonic acid, sodium salt
CID 24185711

Frequently Asked Questions

What is the IUPAC name of barium(2+);cyclohexylsulfamic acid?
The IUPAC name of barium(2+);cyclohexylsulfamic acid (CID 54605044) is barium(2+);cyclohexylsulfamic acid.
What is the SMILES notation for barium(2+);cyclohexylsulfamic acid?
The canonical SMILES for barium(2+);cyclohexylsulfamic acid is O=S(=O)(O)NC1CCCCC1.[Ba+2].
What is the InChIKey of barium(2+);cyclohexylsulfamic acid?
The InChIKey is UYYVGABAECNPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.Ba/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 barium(2+);cyclohexylsulfamic acid?
barium(2+);cyclohexylsulfamic acid has a molecular weight of 316.57 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 barium(2+);cyclohexylsulfamic acid is sourced from PubChem (CID 54605044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).