(2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium

C13H25OS+ — CID 18547467

IUPAC(2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium
SMILESCC(C)[S+](CC(=O)C1CCCC1)C(C)C
InChIInChI=1S/C13H25OS/c1-10(2)15(11(3)4)9-13(14)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3/q+1
InChIKeyVZFIXTIPNGOSLR-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.18
Rot. Bonds5

About (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium

(2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium (PubChem CID 18547467) has the molecular formula C13H25OS+ and a molecular weight of 229.41 g/mol. Its IUPAC name is (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium.

Molecular Properties

Compound Name(2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium
PubChem CID18547467
Molecular FormulaC13H25OS+
Molecular Weight229.41 g/mol
Exact Mass229.16
IUPAC Name(2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium
SMILESCC(C)[S+](CC(=O)C1CCCC1)C(C)C
InChIInChI=1S/C13H25OS/c1-10(2)15(11(3)4)9-13(14)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3/q+1
InChIKeyVZFIXTIPNGOSLR-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium 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 (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium?
The IUPAC name of (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium (CID 18547467) is (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium.
What is the SMILES notation for (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium?
The canonical SMILES for (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium is CC(C)[S+](CC(=O)C1CCCC1)C(C)C.
What is the InChIKey of (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium?
The InChIKey is VZFIXTIPNGOSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25OS/c1-10(2)15(11(3)4)9-13(14)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3/q+1.
What are the key properties of (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium?
(2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium has a molecular weight of 229.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-2-oxoethyl)-di(propan-2-yl)sulfanium is sourced from PubChem (CID 18547467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).