amino(cyclohexyl)sulfamic acid

C6H14N2O3S — CID 54184978

IUPACamino(cyclohexyl)sulfamic acid
SMILESNN(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C6H14N2O3S/c7-8(12(9,10)11)6-4-2-1-3-5-6/h6H,1-5,7H2,(H,9,10,11)
InChIKeyPELPXKQWTQJQTR-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.30
Rot. Bonds2

About amino(cyclohexyl)sulfamic acid

amino(cyclohexyl)sulfamic acid (PubChem CID 54184978) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is amino(cyclohexyl)sulfamic acid.

Molecular Properties

Compound Nameamino(cyclohexyl)sulfamic acid
PubChem CID54184978
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Nameamino(cyclohexyl)sulfamic acid
SMILESNN(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C6H14N2O3S/c7-8(12(9,10)11)6-4-2-1-3-5-6/h6H,1-5,7H2,(H,9,10,11)
InChIKeyPELPXKQWTQJQTR-UHFFFAOYSA-N
XLogP0.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(cyclohexyl)sulfamic acid?
The IUPAC name of amino(cyclohexyl)sulfamic acid (CID 54184978) is amino(cyclohexyl)sulfamic acid.
What is the SMILES notation for amino(cyclohexyl)sulfamic acid?
The canonical SMILES for amino(cyclohexyl)sulfamic acid is NN(C1CCCCC1)S(=O)(=O)O.
What is the InChIKey of amino(cyclohexyl)sulfamic acid?
The InChIKey is PELPXKQWTQJQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c7-8(12(9,10)11)6-4-2-1-3-5-6/h6H,1-5,7H2,(H,9,10,11).
What are the key properties of amino(cyclohexyl)sulfamic acid?
amino(cyclohexyl)sulfamic acid has a molecular weight of 194.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(cyclohexyl)sulfamic acid is sourced from PubChem (CID 54184978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).