6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine

C11H16N2O2S — CID 121191202

IUPAC6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCCCCS(=O)(=O)N1Cc2cccnc2C1
InChIInChI=1S/C11H16N2O2S/c1-2-3-7-16(14,15)13-8-10-5-4-6-12-11(10)9-13/h4-6H,2-3,7-9H2,1H3
InChIKeyJKFZEOPPNPOKFQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.53
Rot. Bonds4

About 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine

6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 121191202) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID121191202
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCCCCS(=O)(=O)N1Cc2cccnc2C1
InChIInChI=1S/C11H16N2O2S/c1-2-3-7-16(14,15)13-8-10-5-4-6-12-11(10)9-13/h4-6H,2-3,7-9H2,1H3
InChIKeyJKFZEOPPNPOKFQ-UHFFFAOYSA-N
XLogP1.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-methylpropylsulfonyl)-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121184552
N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide
CID 121184546
4-butylsulfonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365240
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide
CID 121191276
6-(1-butylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082634
1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 110709141
6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191252
2-butylsulfonyl-3H-isoindol-1-one
CID 14494072
1-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]ethanone
CID 121191228
1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 163880046
1-butylsulfonyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55837999

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 121191202) is 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine is CCCCS(=O)(=O)N1Cc2cccnc2C1.
What is the InChIKey of 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is JKFZEOPPNPOKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-3-7-16(14,15)13-8-10-5-4-6-12-11(10)9-13/h4-6H,2-3,7-9H2,1H3.
What are the key properties of 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 240.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 121191202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).