2-methylsulfinyl-3H-pyrrole

C5H7NOS — CID 159434011

IUPAC2-methylsulfinyl-3H-pyrrole
SMILESCS(=O)C1=NC=CC1
InChIInChI=1S/C5H7NOS/c1-8(7)5-3-2-4-6-5/h2,4H,3H2,1H3
InChIKeyYIULIXMWOZHUBS-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.68
Rot. Bonds

About 2-methylsulfinyl-3H-pyrrole

2-methylsulfinyl-3H-pyrrole (PubChem CID 159434011) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-methylsulfinyl-3H-pyrrole.

Molecular Properties

Compound Name2-methylsulfinyl-3H-pyrrole
PubChem CID159434011
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name2-methylsulfinyl-3H-pyrrole
SMILESCS(=O)C1=NC=CC1
InChIInChI=1S/C5H7NOS/c1-8(7)5-3-2-4-6-5/h2,4H,3H2,1H3
InChIKeyYIULIXMWOZHUBS-UHFFFAOYSA-N
XLogP0.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfinyl-3H-pyrrole 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-methylsulfinyl-3H-pyrrole?
The IUPAC name of 2-methylsulfinyl-3H-pyrrole (CID 159434011) is 2-methylsulfinyl-3H-pyrrole.
What is the SMILES notation for 2-methylsulfinyl-3H-pyrrole?
The canonical SMILES for 2-methylsulfinyl-3H-pyrrole is CS(=O)C1=NC=CC1.
What is the InChIKey of 2-methylsulfinyl-3H-pyrrole?
The InChIKey is YIULIXMWOZHUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-8(7)5-3-2-4-6-5/h2,4H,3H2,1H3.
What are the key properties of 2-methylsulfinyl-3H-pyrrole?
2-methylsulfinyl-3H-pyrrole has a molecular weight of 129.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-3H-pyrrole is sourced from PubChem (CID 159434011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).