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

C12H15N3O3S — CID 115455381

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CO)CC1)c1c[nH]c2ncccc12
InChIInChI=1S/C12H15N3O3S/c16-8-12(3-4-12)7-15-19(17,18)10-6-14-11-9(10)2-1-5-13-11/h1-2,5-6,15-16H,3-4,7-8H2,(H,13,14)
InChIKeySRYVTAALFPMIKD-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.61
Rot. Bonds5

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

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 115455381) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID115455381
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CO)CC1)c1c[nH]c2ncccc12
InChIInChI=1S/C12H15N3O3S/c16-8-12(3-4-12)7-15-19(17,18)10-6-14-11-9(10)2-1-5-13-11/h1-2,5-6,15-16H,3-4,7-8H2,(H,13,14)
InChIKeySRYVTAALFPMIKD-UHFFFAOYSA-N
XLogP0.61
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 107271404
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119964781
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide
CID 114749841
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
2-(4-fluorophenoxy)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)propanoic acid
CID 167928831
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
N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170221
N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 99621533

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 115455381) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is O=S(=O)(NCC1(CO)CC1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is SRYVTAALFPMIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-8-12(3-4-12)7-15-19(17,18)10-6-14-11-9(10)2-1-5-13-11/h1-2,5-6,15-16H,3-4,7-8H2,(H,13,14).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 115455381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).