N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C15H22N4O3S — CID 166229392

IUPACN-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(CN1CCOCC1)N(C)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C15H22N4O3S/c1-12(11-19-6-8-22-9-7-19)18(2)23(20,21)14-10-17-15-13(14)4-3-5-16-15/h3-5,10,12H,6-9,11H2,1-2H3,(H,16,17)
InChIKeyRVSSSYFMOGCZSV-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.90
Rot. Bonds5

About N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 166229392) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID166229392
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(CN1CCOCC1)N(C)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C15H22N4O3S/c1-12(11-19-6-8-22-9-7-19)18(2)23(20,21)14-10-17-15-13(14)4-3-5-16-15/h3-5,10,12H,6-9,11H2,1-2H3,(H,16,17)
InChIKeyRVSSSYFMOGCZSV-UHFFFAOYSA-N
XLogP0.90
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 166229392) is N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CC(CN1CCOCC1)N(C)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is RVSSSYFMOGCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-12(11-19-6-8-22-9-7-19)18(2)23(20,21)14-10-17-15-13(14)4-3-5-16-15/h3-5,10,12H,6-9,11H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 166229392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).