cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide

C16H30I2S — CID 173457122

IUPACcyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide
SMILESC1CCC([S+](C2CCCC2)C2CCCC2)CC1.I.[I-]
InChIInChI=1S/C16H29S.2HI/c1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16;;/h14-16H,1-13H2;2*1H/q+1;;/p-1
InChIKeyPERCPVWPNYSYGN-UHFFFAOYSA-M
MW508.29 g/mol
LogP2.44
Rot. Bonds3

About cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide

cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide (PubChem CID 173457122) has the molecular formula C16H30I2S and a molecular weight of 508.29 g/mol. Its IUPAC name is cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide.

Molecular Properties

Compound Namecyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide
PubChem CID173457122
Molecular FormulaC16H30I2S
Molecular Weight508.29 g/mol
Exact Mass508.02
IUPAC Namecyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide
SMILESC1CCC([S+](C2CCCC2)C2CCCC2)CC1.I.[I-]
InChIInChI=1S/C16H29S.2HI/c1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16;;/h14-16H,1-13H2;2*1H/q+1;;/p-1
InChIKeyPERCPVWPNYSYGN-UHFFFAOYSA-M
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide?
The IUPAC name of cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide (CID 173457122) is cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide.
What is the SMILES notation for cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide?
The canonical SMILES for cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide is C1CCC([S+](C2CCCC2)C2CCCC2)CC1.I.[I-].
What is the InChIKey of cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide?
The InChIKey is PERCPVWPNYSYGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H29S.2HI/c1-2-8-14(9-3-1)17(15-10-4-5-11-15)16-12-6-7-13-16;;/h14-16H,1-13H2;2*1H/q+1;;/p-1.
What are the key properties of cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide?
cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide has a molecular weight of 508.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(dicyclopentyl)sulfanium;iodide;hydroiodide is sourced from PubChem (CID 173457122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).