3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

C10H14N2O2S — CID 129099357

IUPAC3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESCCc1cc2c(nc1S(C)(=O)=O)CNC2
InChIInChI=1S/C10H14N2O2S/c1-3-7-4-8-5-11-6-9(8)12-10(7)15(2,13)14/h4,11H,3,5-6H2,1-2H3
InChIKeyLBMNSOPKQBWBOI-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.65
Rot. Bonds2

About 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (PubChem CID 129099357) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
PubChem CID129099357
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESCCc1cc2c(nc1S(C)(=O)=O)CNC2
InChIInChI=1S/C10H14N2O2S/c1-3-7-4-8-5-11-6-9(8)12-10(7)15(2,13)14/h4,11H,3,5-6H2,1-2H3
InChIKeyLBMNSOPKQBWBOI-UHFFFAOYSA-N
XLogP0.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (CID 129099357) is 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is CCc1cc2c(nc1S(C)(=O)=O)CNC2.
What is the InChIKey of 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The InChIKey is LBMNSOPKQBWBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-7-4-8-5-11-6-9(8)12-10(7)15(2,13)14/h4,11H,3,5-6H2,1-2H3.
What are the key properties of 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine has a molecular weight of 226.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 129099357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).