N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C11H16N4O2S — CID 115303409

IUPACN-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)(N)CNS(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H16N4O2S/c1-11(2,12)7-15-18(16,17)9-6-14-10-8(9)4-3-5-13-10/h3-6,15H,7,12H2,1-2H3,(H,13,14)
InChIKeyAFCCVGLJUZMBQF-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.58
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 115303409) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID115303409
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)(N)CNS(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H16N4O2S/c1-11(2,12)7-15-18(16,17)9-6-14-10-8(9)4-3-5-13-10/h3-6,15H,7,12H2,1-2H3,(H,13,14)
InChIKeyAFCCVGLJUZMBQF-UHFFFAOYSA-N
XLogP0.58
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119964781
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79531355
N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61168850
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115455381
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 96549725
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 142393211
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(2-pyrrolidin-2-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 114794123

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 115303409) is N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CC(C)(N)CNS(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is AFCCVGLJUZMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-11(2,12)7-15-18(16,17)9-6-14-10-8(9)4-3-5-13-10/h3-6,15H,7,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 115303409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).