cyclohexyl(trimethyl)azanium;methanesulfonate

C10H23NO3S — CID 71474924

IUPACcyclohexyl(trimethyl)azanium;methanesulfonate
SMILESCS(=O)(=O)[O-].C[N+](C)(C)C1CCCCC1
InChIInChI=1S/C9H20N.CH4O3S/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h9H,4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyIZAJHCHUTYYTGP-UHFFFAOYSA-M
MW237.36 g/mol
LogP1.19
Rot. Bonds1

About cyclohexyl(trimethyl)azanium;methanesulfonate

cyclohexyl(trimethyl)azanium;methanesulfonate (PubChem CID 71474924) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is cyclohexyl(trimethyl)azanium;methanesulfonate.

Molecular Properties

Compound Namecyclohexyl(trimethyl)azanium;methanesulfonate
PubChem CID71474924
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Namecyclohexyl(trimethyl)azanium;methanesulfonate
SMILESCS(=O)(=O)[O-].C[N+](C)(C)C1CCCCC1
InChIInChI=1S/C9H20N.CH4O3S/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h9H,4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyIZAJHCHUTYYTGP-UHFFFAOYSA-M
XLogP1.19
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(trimethyl)azanium;methanesulfonate?
The IUPAC name of cyclohexyl(trimethyl)azanium;methanesulfonate (CID 71474924) is cyclohexyl(trimethyl)azanium;methanesulfonate.
What is the SMILES notation for cyclohexyl(trimethyl)azanium;methanesulfonate?
The canonical SMILES for cyclohexyl(trimethyl)azanium;methanesulfonate is CS(=O)(=O)[O-].C[N+](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl(trimethyl)azanium;methanesulfonate?
The InChIKey is IZAJHCHUTYYTGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.CH4O3S/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h9H,4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1.
What are the key properties of cyclohexyl(trimethyl)azanium;methanesulfonate?
cyclohexyl(trimethyl)azanium;methanesulfonate has a molecular weight of 237.36 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethyl)azanium;methanesulfonate is sourced from PubChem (CID 71474924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).