2-methylthiolane 1,1-dioxide

C5H10O2S — CID 549931

IUPAC2-methylthiolane 1,1-dioxide
SMILESCC1CCCS1(=O)=O
InChIInChI=1S/C5H10O2S/c1-5-3-2-4-8(5,6)7/h5H,2-4H2,1H3
InChIKeyPPDFQRAASCRJAH-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.58
Rot. Bonds

About 2-methylthiolane 1,1-dioxide

2-methylthiolane 1,1-dioxide (PubChem CID 549931) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-methylthiolane 1,1-dioxide
PubChem CID549931
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name2-methylthiolane 1,1-dioxide
SMILESCC1CCCS1(=O)=O
InChIInChI=1S/C5H10O2S/c1-5-3-2-4-8(5,6)7/h5H,2-4H2,1H3
InChIKeyPPDFQRAASCRJAH-UHFFFAOYSA-N
XLogP0.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylthiolane 1,1-dioxide 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-methylthiolane 1,1-dioxide?
The IUPAC name of 2-methylthiolane 1,1-dioxide (CID 549931) is 2-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2-methylthiolane 1,1-dioxide?
The canonical SMILES for 2-methylthiolane 1,1-dioxide is CC1CCCS1(=O)=O.
What is the InChIKey of 2-methylthiolane 1,1-dioxide?
The InChIKey is PPDFQRAASCRJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-5-3-2-4-8(5,6)7/h5H,2-4H2,1H3.
What are the key properties of 2-methylthiolane 1,1-dioxide?
2-methylthiolane 1,1-dioxide has a molecular weight of 134.20 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiolane 1,1-dioxide is sourced from PubChem (CID 549931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).