N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide

C14H18N4O2S — CID 106596203

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NC1CCN2CCCC2C1
InChIInChI=1S/C14H18N4O2S/c15-10-13-14(4-1-6-16-13)21(19,20)17-11-5-8-18-7-2-3-12(18)9-11/h1,4,6,11-12,17H,2-3,5,7-9H2
InChIKeyAVBIEKAOCIDJPV-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.86
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106596203) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide
PubChem CID106596203
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NC1CCN2CCCC2C1
InChIInChI=1S/C14H18N4O2S/c15-10-13-14(4-1-6-16-13)21(19,20)17-11-5-8-18-7-2-3-12(18)9-11/h1,4,6,11-12,17H,2-3,5,7-9H2
InChIKeyAVBIEKAOCIDJPV-UHFFFAOYSA-N
XLogP0.86
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide with MolForge

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Related Compounds

2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 106546280
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
CID 113225622
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide
CID 106595449
N-(5-azaspiro[3.5]nonan-8-yl)-2-cyanopyridine-3-sulfonamide
CID 106598352
3-(2-cyanopyrrolidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 106595218
2-cyano-N-(2-phenylcyclopropyl)pyridine-3-sulfonamide
CID 106545745
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid
CID 112732174
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-sulfonamide
CID 65472564
N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
CID 106598645
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
methyl 1-[(2-cyano-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 106545929

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide (CID 106596203) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NC1CCN2CCCC2C1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is AVBIEKAOCIDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-10-13-14(4-1-6-16-13)21(19,20)17-11-5-8-18-7-2-3-12(18)9-11/h1,4,6,11-12,17H,2-3,5,7-9H2.
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106596203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).