N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide

C14H14N4O2S — CID 91421233

IUPACN-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide
SMILESN#CN1CCC(NS(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C14H14N4O2S/c15-10-18-8-6-12(9-18)17-21(19,20)13-5-1-3-11-4-2-7-16-14(11)13/h1-5,7,12,17H,6,8-9H2
InChIKeyVZPRYSZVMMOQQX-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.07
Rot. Bonds3

About N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide

N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide (PubChem CID 91421233) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide
PubChem CID91421233
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide
SMILESN#CN1CCC(NS(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C14H14N4O2S/c15-10-18-8-6-12(9-18)17-21(19,20)13-5-1-3-11-4-2-7-16-14(11)13/h1-5,7,12,17H,6,8-9H2
InChIKeyVZPRYSZVMMOQQX-UHFFFAOYSA-N
XLogP1.07
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-(1-cyanopyrrolidin-3-yl)quinoline-8-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-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide
CID 121022914
N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 22772493
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide
CID 141223938
2-chloro-N-(1-cyanopyrrolidin-3-yl)-5-(phosphanylamino)benzenesulfonamide
CID 143880251
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 126935356
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565285
N-(3-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 120724842
N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45210111

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide (CID 91421233) is N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide is N#CN1CCC(NS(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide?
The InChIKey is VZPRYSZVMMOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-10-18-8-6-12(9-18)17-21(19,20)13-5-1-3-11-4-2-7-16-14(11)13/h1-5,7,12,17H,6,8-9H2.
What are the key properties of N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide?
N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 91421233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).