6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine

C11H16N2O2S — CID 121184552

IUPAC6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC(C)CS(=O)(=O)N1Cc2cccnc2C1
InChIInChI=1S/C11H16N2O2S/c1-9(2)8-16(14,15)13-6-10-4-3-5-12-11(10)7-13/h3-5,9H,6-8H2,1-2H3
InChIKeyXOPUYWCPDRHEAI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.38
Rot. Bonds3

About 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine

6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 121184552) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID121184552
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC(C)CS(=O)(=O)N1Cc2cccnc2C1
InChIInChI=1S/C11H16N2O2S/c1-9(2)8-16(14,15)13-6-10-4-3-5-12-11(10)7-13/h3-5,9H,6-8H2,1-2H3
InChIKeyXOPUYWCPDRHEAI-UHFFFAOYSA-N
XLogP1.38
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine (CID 121184552) is 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine is CC(C)CS(=O)(=O)N1Cc2cccnc2C1.
What is the InChIKey of 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is XOPUYWCPDRHEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9(2)8-16(14,15)13-6-10-4-3-5-12-11(10)7-13/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine?
6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 240.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 121184552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).