N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C14H19N5O3S — CID 119967438

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C14H19N5O3S/c1-18(10-13(20)19-7-5-15-6-8-19)23(21,22)12-9-17-14-11(12)3-2-4-16-14/h2-4,9,15H,5-8,10H2,1H3,(H,16,17)
InChIKeyIPGFDEYEAIFFTA-UHFFFAOYSA-N
MW337.41 g/mol
LogP-0.38
Rot. Bonds4

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 119967438) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID119967438
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C14H19N5O3S/c1-18(10-13(20)19-7-5-15-6-8-19)23(21,22)12-9-17-14-11(12)3-2-4-16-14/h2-4,9,15H,5-8,10H2,1H3,(H,16,17)
InChIKeyIPGFDEYEAIFFTA-UHFFFAOYSA-N
XLogP-0.38
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 119967438) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CN(CC(=O)N1CCNCC1)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is IPGFDEYEAIFFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-18(10-13(20)19-7-5-15-6-8-19)23(21,22)12-9-17-14-11(12)3-2-4-16-14/h2-4,9,15H,5-8,10H2,1H3,(H,16,17).
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 119967438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).