(1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone

C13H22OS — CID 81450828

IUPAC(1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone
SMILESCCC1(C(=O)C2(C)CCCS2)CCCC1
InChIInChI=1S/C13H22OS/c1-3-13(8-4-5-9-13)11(14)12(2)7-6-10-15-12/h3-10H2,1-2H3
InChIKeyBINIYZSTSLEVGT-UHFFFAOYSA-N
MW226.38 g/mol
LogP3.81
Rot. Bonds3

About (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone

(1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone (PubChem CID 81450828) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone
PubChem CID81450828
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name(1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone
SMILESCCC1(C(=O)C2(C)CCCS2)CCCC1
InChIInChI=1S/C13H22OS/c1-3-13(8-4-5-9-13)11(14)12(2)7-6-10-15-12/h3-10H2,1-2H3
InChIKeyBINIYZSTSLEVGT-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone 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 (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone?
The IUPAC name of (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone (CID 81450828) is (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone is CCC1(C(=O)C2(C)CCCS2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone?
The InChIKey is BINIYZSTSLEVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-3-13(8-4-5-9-13)11(14)12(2)7-6-10-15-12/h3-10H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone?
(1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone has a molecular weight of 226.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81450828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).