cyclohexylsulfamic acid

C6H13NO3S — CID 7533

IUPACcyclohexylsulfamic acid
SMILESO=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
InChIKeyHCAJEUSONLESMK-UHFFFAOYSA-N
MW179.24 g/mol
LogP0.71
Rot. Bonds2

About cyclohexylsulfamic acid

cyclohexylsulfamic acid (PubChem CID 7533) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is cyclohexylsulfamic acid.

Molecular Properties

Compound Namecyclohexylsulfamic acid
PubChem CID7533
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Namecyclohexylsulfamic acid
SMILESO=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
InChIKeyHCAJEUSONLESMK-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.71
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

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
Hexylsulfamic acid
CID 204300
Cyclohexylsulfamyl chloride
CID 12914615
Sulfamide, N-cyclohexyl-N'-methyl-
CID 1513138
Cyclamate magnesium dihydrate
CID 24438
Monocyclohexyl ammonium hydrogen sulphate
CID 5284372
Ammonium cyclohexylsulfamate
CID 9877636

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfamic acid?
The IUPAC name of cyclohexylsulfamic acid (CID 7533) is cyclohexylsulfamic acid.
What is the SMILES notation for cyclohexylsulfamic acid?
The canonical SMILES for cyclohexylsulfamic acid is O=S(=O)(O)NC1CCCCC1.
What is the InChIKey of cyclohexylsulfamic acid?
The InChIKey is HCAJEUSONLESMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10).
What are the key properties of cyclohexylsulfamic acid?
cyclohexylsulfamic acid has a molecular weight of 179.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfamic acid is sourced from PubChem (CID 7533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).