N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C11H14N4O2S — CID 66184781

IUPACN-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H14N4O2S/c1-15(8-5-12-6-8)18(16,17)10-7-14-11-9(10)3-2-4-13-11/h2-4,7-8,12H,5-6H2,1H3,(H,13,14)
InChIKeyGKXQNSMTNGAUBF-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.16
Rot. Bonds3

About N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 66184781) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID66184781
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H14N4O2S/c1-15(8-5-12-6-8)18(16,17)10-7-14-11-9(10)3-2-4-13-11/h2-4,7-8,12H,5-6H2,1H3,(H,13,14)
InChIKeyGKXQNSMTNGAUBF-UHFFFAOYSA-N
XLogP0.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63909044
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 66212008
N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170221
N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119966914
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 24749263
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 119967438
N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170220
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 128975358
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63874430
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115317706
N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 166229392

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 66184781) is N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CN(C1CNC1)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is GKXQNSMTNGAUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15(8-5-12-6-8)18(16,17)10-7-14-11-9(10)3-2-4-13-11/h2-4,7-8,12H,5-6H2,1H3,(H,13,14).
What are the key properties of N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 66184781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).