amino(cyclohexyl)methanesulfonic acid

C7H15NO3S — CID 87254070

IUPACamino(cyclohexyl)methanesulfonic acid
SMILESNC(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C7H15NO3S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H,9,10,11)
InChIKeyCKKDYAPMXMLQKD-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.74
Rot. Bonds2

About amino(cyclohexyl)methanesulfonic acid

amino(cyclohexyl)methanesulfonic acid (PubChem CID 87254070) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is amino(cyclohexyl)methanesulfonic acid.

Molecular Properties

Compound Nameamino(cyclohexyl)methanesulfonic acid
PubChem CID87254070
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Nameamino(cyclohexyl)methanesulfonic acid
SMILESNC(C1CCCCC1)S(=O)(=O)O
InChIInChI=1S/C7H15NO3S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H,9,10,11)
InChIKeyCKKDYAPMXMLQKD-UHFFFAOYSA-N
XLogP0.74
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino(cyclohexyl)methanesulfonic acid?
The IUPAC name of amino(cyclohexyl)methanesulfonic acid (CID 87254070) is amino(cyclohexyl)methanesulfonic acid.
What is the SMILES notation for amino(cyclohexyl)methanesulfonic acid?
The canonical SMILES for amino(cyclohexyl)methanesulfonic acid is NC(C1CCCCC1)S(=O)(=O)O.
What is the InChIKey of amino(cyclohexyl)methanesulfonic acid?
The InChIKey is CKKDYAPMXMLQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5,8H2,(H,9,10,11).
What are the key properties of amino(cyclohexyl)methanesulfonic acid?
amino(cyclohexyl)methanesulfonic acid has a molecular weight of 193.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(cyclohexyl)methanesulfonic acid is sourced from PubChem (CID 87254070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).