2-amino-2-cyclohexylethanesulfonic acid

C8H17NO3S — CID 10798377

IUPAC2-amino-2-cyclohexylethanesulfonic acid
SMILESNC(CS(=O)(=O)O)C1CCCCC1
InChIInChI=1S/C8H17NO3S/c9-8(6-13(10,11)12)7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H,10,11,12)
InChIKeyBZKKNBVEEDXGHG-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.78
Rot. Bonds3

About 2-amino-2-cyclohexylethanesulfonic acid

2-amino-2-cyclohexylethanesulfonic acid (PubChem CID 10798377) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-amino-2-cyclohexylethanesulfonic acid.

Molecular Properties

Compound Name2-amino-2-cyclohexylethanesulfonic acid
PubChem CID10798377
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-amino-2-cyclohexylethanesulfonic acid
SMILESNC(CS(=O)(=O)O)C1CCCCC1
InChIInChI=1S/C8H17NO3S/c9-8(6-13(10,11)12)7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H,10,11,12)
InChIKeyBZKKNBVEEDXGHG-UHFFFAOYSA-N
XLogP0.78
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.78
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 2-amino-2-cyclohexylethanesulfonic acid?
The IUPAC name of 2-amino-2-cyclohexylethanesulfonic acid (CID 10798377) is 2-amino-2-cyclohexylethanesulfonic acid.
What is the SMILES notation for 2-amino-2-cyclohexylethanesulfonic acid?
The canonical SMILES for 2-amino-2-cyclohexylethanesulfonic acid is NC(CS(=O)(=O)O)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexylethanesulfonic acid?
The InChIKey is BZKKNBVEEDXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c9-8(6-13(10,11)12)7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H,10,11,12).
What are the key properties of 2-amino-2-cyclohexylethanesulfonic acid?
2-amino-2-cyclohexylethanesulfonic acid has a molecular weight of 207.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexylethanesulfonic acid is sourced from PubChem (CID 10798377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).