(2-cyclopentyl-2-oxoethyl)-diethylsulfanium

C11H21OS+ — CID 18547449

IUPAC(2-cyclopentyl-2-oxoethyl)-diethylsulfanium
SMILESCC[S+](CC)CC(=O)C1CCCC1
InChIInChI=1S/C11H21OS/c1-3-13(4-2)9-11(12)10-7-5-6-8-10/h10H,3-9H2,1-2H3/q+1
InChIKeyRKTBPFWZOOSKEK-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.40
Rot. Bonds5

About (2-cyclopentyl-2-oxoethyl)-diethylsulfanium

(2-cyclopentyl-2-oxoethyl)-diethylsulfanium (PubChem CID 18547449) has the molecular formula C11H21OS+ and a molecular weight of 201.35 g/mol. Its IUPAC name is (2-cyclopentyl-2-oxoethyl)-diethylsulfanium.

Molecular Properties

Compound Name(2-cyclopentyl-2-oxoethyl)-diethylsulfanium
PubChem CID18547449
Molecular FormulaC11H21OS+
Molecular Weight201.35 g/mol
Exact Mass201.13
IUPAC Name(2-cyclopentyl-2-oxoethyl)-diethylsulfanium
SMILESCC[S+](CC)CC(=O)C1CCCC1
InChIInChI=1S/C11H21OS/c1-3-13(4-2)9-11(12)10-7-5-6-8-10/h10H,3-9H2,1-2H3/q+1
InChIKeyRKTBPFWZOOSKEK-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-2-oxoethyl)-diethylsulfanium?
The IUPAC name of (2-cyclopentyl-2-oxoethyl)-diethylsulfanium (CID 18547449) is (2-cyclopentyl-2-oxoethyl)-diethylsulfanium.
What is the SMILES notation for (2-cyclopentyl-2-oxoethyl)-diethylsulfanium?
The canonical SMILES for (2-cyclopentyl-2-oxoethyl)-diethylsulfanium is CC[S+](CC)CC(=O)C1CCCC1.
What is the InChIKey of (2-cyclopentyl-2-oxoethyl)-diethylsulfanium?
The InChIKey is RKTBPFWZOOSKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OS/c1-3-13(4-2)9-11(12)10-7-5-6-8-10/h10H,3-9H2,1-2H3/q+1.
What are the key properties of (2-cyclopentyl-2-oxoethyl)-diethylsulfanium?
(2-cyclopentyl-2-oxoethyl)-diethylsulfanium has a molecular weight of 201.35 g/mol, XLogP of 2.40, 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)-diethylsulfanium is sourced from PubChem (CID 18547449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).