1-ethylsulfonyl-2-methylpyrrole

C7H11NO2S — CID 145446296

IUPAC1-ethylsulfonyl-2-methylpyrrole
SMILESCCS(=O)(=O)n1cccc1C
InChIInChI=1S/C7H11NO2S/c1-3-11(9,10)8-6-4-5-7(8)2/h4-6H,3H2,1-2H3
InChIKeyKYTZXHKQSFBCKN-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.99
Rot. Bonds2

About 1-ethylsulfonyl-2-methylpyrrole

1-ethylsulfonyl-2-methylpyrrole (PubChem CID 145446296) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-methylpyrrole.

Molecular Properties

Compound Name1-ethylsulfonyl-2-methylpyrrole
PubChem CID145446296
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-ethylsulfonyl-2-methylpyrrole
SMILESCCS(=O)(=O)n1cccc1C
InChIInChI=1S/C7H11NO2S/c1-3-11(9,10)8-6-4-5-7(8)2/h4-6H,3H2,1-2H3
InChIKeyKYTZXHKQSFBCKN-UHFFFAOYSA-N
XLogP0.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfonyl-2-methylpyrrole 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 1-ethylsulfonyl-2-methylpyrrole?
The IUPAC name of 1-ethylsulfonyl-2-methylpyrrole (CID 145446296) is 1-ethylsulfonyl-2-methylpyrrole.
What is the SMILES notation for 1-ethylsulfonyl-2-methylpyrrole?
The canonical SMILES for 1-ethylsulfonyl-2-methylpyrrole is CCS(=O)(=O)n1cccc1C.
What is the InChIKey of 1-ethylsulfonyl-2-methylpyrrole?
The InChIKey is KYTZXHKQSFBCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-11(9,10)8-6-4-5-7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-2-methylpyrrole?
1-ethylsulfonyl-2-methylpyrrole has a molecular weight of 173.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-methylpyrrole is sourced from PubChem (CID 145446296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).