oxetan-3-yl 4-methylthiophene-3-carboxylate

C9H10O3S — CID 130619273

IUPACoxetan-3-yl 4-methylthiophene-3-carboxylate
SMILESCc1cscc1C(=O)OC1COC1
InChIInChI=1S/C9H10O3S/c1-6-4-13-5-8(6)9(10)12-7-2-11-3-7/h4-5,7H,2-3H2,1H3
InChIKeyAGBAUFPEJWWJTJ-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.61
Rot. Bonds2

About oxetan-3-yl 4-methylthiophene-3-carboxylate

oxetan-3-yl 4-methylthiophene-3-carboxylate (PubChem CID 130619273) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is oxetan-3-yl 4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 4-methylthiophene-3-carboxylate
PubChem CID130619273
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Nameoxetan-3-yl 4-methylthiophene-3-carboxylate
SMILESCc1cscc1C(=O)OC1COC1
InChIInChI=1S/C9H10O3S/c1-6-4-13-5-8(6)9(10)12-7-2-11-3-7/h4-5,7H,2-3H2,1H3
InChIKeyAGBAUFPEJWWJTJ-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxetan-3-yl 4-methylthiophene-3-carboxylate 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 oxetan-3-yl 4-methylthiophene-3-carboxylate?
The IUPAC name of oxetan-3-yl 4-methylthiophene-3-carboxylate (CID 130619273) is oxetan-3-yl 4-methylthiophene-3-carboxylate.
What is the SMILES notation for oxetan-3-yl 4-methylthiophene-3-carboxylate?
The canonical SMILES for oxetan-3-yl 4-methylthiophene-3-carboxylate is Cc1cscc1C(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 4-methylthiophene-3-carboxylate?
The InChIKey is AGBAUFPEJWWJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c1-6-4-13-5-8(6)9(10)12-7-2-11-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of oxetan-3-yl 4-methylthiophene-3-carboxylate?
oxetan-3-yl 4-methylthiophene-3-carboxylate has a molecular weight of 198.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 4-methylthiophene-3-carboxylate is sourced from PubChem (CID 130619273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).