N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide

C9H13N3O2S — CID 121184546

IUPACN,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2cccnc2C1
InChIInChI=1S/C9H13N3O2S/c1-11(2)15(13,14)12-6-8-4-3-5-10-9(8)7-12/h3-5H,6-7H2,1-2H3
InChIKeyZRRVSPMOGRMGQK-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.20
Rot. Bonds2

About N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide

N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide (PubChem CID 121184546) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide
PubChem CID121184546
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2cccnc2C1
InChIInChI=1S/C9H13N3O2S/c1-11(2)15(13,14)12-6-8-4-3-5-10-9(8)7-12/h3-5H,6-7H2,1-2H3
InChIKeyZRRVSPMOGRMGQK-UHFFFAOYSA-N
XLogP0.20
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide?
The IUPAC name of N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide (CID 121184546) is N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide?
The canonical SMILES for N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide is CN(C)S(=O)(=O)N1Cc2cccnc2C1.
What is the InChIKey of N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide?
The InChIKey is ZRRVSPMOGRMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-11(2)15(13,14)12-6-8-4-3-5-10-9(8)7-12/h3-5H,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide?
N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide has a molecular weight of 227.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide is sourced from PubChem (CID 121184546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).