2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone

C11H11NO3S — CID 119039538

IUPAC2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone
SMILESCc1occc1S(=O)CC(=O)c1ccc[nH]1
InChIInChI=1S/C11H11NO3S/c1-8-11(4-6-15-8)16(14)7-10(13)9-3-2-5-12-9/h2-6,12H,7H2,1H3
InChIKeyLTRJSBIIOVMQTC-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.91
Rot. Bonds4

About 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone

2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 119039538) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone
PubChem CID119039538
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone
SMILESCc1occc1S(=O)CC(=O)c1ccc[nH]1
InChIInChI=1S/C11H11NO3S/c1-8-11(4-6-15-8)16(14)7-10(13)9-3-2-5-12-9/h2-6,12H,7H2,1H3
InChIKeyLTRJSBIIOVMQTC-UHFFFAOYSA-N
XLogP1.91
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone 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-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone (CID 119039538) is 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone is Cc1occc1S(=O)CC(=O)c1ccc[nH]1.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is LTRJSBIIOVMQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-8-11(4-6-15-8)16(14)7-10(13)9-3-2-5-12-9/h2-6,12H,7H2,1H3.
What are the key properties of 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone?
2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 237.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 119039538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).