N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride

C11H17ClN4O2S — CID 119964781

IUPACN-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1c[nH]c2ncccc12.Cl
InChIInChI=1S/C11H16N4O2S.ClH/c1-12-5-3-7-15-18(16,17)10-8-14-11-9(10)4-2-6-13-11;/h2,4,6,8,12,15H,3,5,7H2,1H3,(H,13,14);1H
InChIKeyJHTDLWKWZUGVDR-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.87
Rot. Bonds6

About N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride

N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (PubChem CID 119964781) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
PubChem CID119964781
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC NameN-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1c[nH]c2ncccc12.Cl
InChIInChI=1S/C11H16N4O2S.ClH/c1-12-5-3-7-15-18(16,17)10-8-14-11-9(10)4-2-6-13-11;/h2,4,6,8,12,15H,3,5,7H2,1H3,(H,13,14);1H
InChIKeyJHTDLWKWZUGVDR-UHFFFAOYSA-N
XLogP0.87
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115455381
N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119979349
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 104972664
N-(2-pyrrolidin-2-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 114794123
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79531355
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 107271404
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 142393211
2-(4-fluorophenoxy)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)propanoic acid
CID 167928831
N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 66184781

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (CID 119964781) is N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1c[nH]c2ncccc12.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is JHTDLWKWZUGVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S.ClH/c1-12-5-3-7-15-18(16,17)10-8-14-11-9(10)4-2-6-13-11;/h2,4,6,8,12,15H,3,5,7H2,1H3,(H,13,14);1H.
What are the key properties of N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 304.80 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119964781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).