(2-methyloxolan-3-yl)-(thiolan-2-yl)methanone

C10H16O2S — CID 79760066

IUPAC(2-methyloxolan-3-yl)-(thiolan-2-yl)methanone
SMILESCC1OCCC1C(=O)C1CCCS1
InChIInChI=1S/C10H16O2S/c1-7-8(4-5-12-7)10(11)9-3-2-6-13-9/h7-9H,2-6H2,1H3
InChIKeyLYBCOJVGRALICE-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.88
Rot. Bonds2

About (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone

(2-methyloxolan-3-yl)-(thiolan-2-yl)methanone (PubChem CID 79760066) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(thiolan-2-yl)methanone
PubChem CID79760066
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name(2-methyloxolan-3-yl)-(thiolan-2-yl)methanone
SMILESCC1OCCC1C(=O)C1CCCS1
InChIInChI=1S/C10H16O2S/c1-7-8(4-5-12-7)10(11)9-3-2-6-13-9/h7-9H,2-6H2,1H3
InChIKeyLYBCOJVGRALICE-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methyloxolan-3-yl)-(thiolan-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 (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone?
The IUPAC name of (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone (CID 79760066) is (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone?
The canonical SMILES for (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone is CC1OCCC1C(=O)C1CCCS1.
What is the InChIKey of (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone?
The InChIKey is LYBCOJVGRALICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7-8(4-5-12-7)10(11)9-3-2-6-13-9/h7-9H,2-6H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone?
(2-methyloxolan-3-yl)-(thiolan-2-yl)methanone has a molecular weight of 200.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 79760066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).