1-methylsulfonylpyrrole

C5H7NO2S — CID 13163156

IUPAC1-methylsulfonylpyrrole
SMILESCS(=O)(=O)n1cccc1
InChIInChI=1S/C5H7NO2S/c1-9(7,8)6-4-2-3-5-6/h2-5H,1H3
InChIKeyZNRLSDRSVBEBMA-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.30
Rot. Bonds1

About 1-methylsulfonylpyrrole

1-methylsulfonylpyrrole (PubChem CID 13163156) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-methylsulfonylpyrrole.

Molecular Properties

Compound Name1-methylsulfonylpyrrole
PubChem CID13163156
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name1-methylsulfonylpyrrole
SMILESCS(=O)(=O)n1cccc1
InChIInChI=1S/C5H7NO2S/c1-9(7,8)6-4-2-3-5-6/h2-5H,1H3
InChIKeyZNRLSDRSVBEBMA-UHFFFAOYSA-N
XLogP0.30
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrole?
The IUPAC name of 1-methylsulfonylpyrrole (CID 13163156) is 1-methylsulfonylpyrrole.
What is the SMILES notation for 1-methylsulfonylpyrrole?
The canonical SMILES for 1-methylsulfonylpyrrole is CS(=O)(=O)n1cccc1.
What is the InChIKey of 1-methylsulfonylpyrrole?
The InChIKey is ZNRLSDRSVBEBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-9(7,8)6-4-2-3-5-6/h2-5H,1H3.
What are the key properties of 1-methylsulfonylpyrrole?
1-methylsulfonylpyrrole has a molecular weight of 145.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrole is sourced from PubChem (CID 13163156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).