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

C13H20N4O2S — CID 79652133

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H20N4O2S/c1-13(2,8-14)9-17(3)20(18,19)11-7-16-12-10(11)5-4-6-15-12/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyUOERVXMQEAQCMH-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.17
Rot. Bonds5

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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 79652133) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID79652133
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H20N4O2S/c1-13(2,8-14)9-17(3)20(18,19)11-7-16-12-10(11)5-4-6-15-12/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyUOERVXMQEAQCMH-UHFFFAOYSA-N
XLogP1.17
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 79652133) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is UOERVXMQEAQCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-13(2,8-14)9-17(3)20(18,19)11-7-16-12-10(11)5-4-6-15-12/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 79652133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).