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

C14H20N2O2S — CID 113225622

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN2CCCC2C1)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-19(18,14-6-2-1-3-7-14)15-12-8-10-16-9-4-5-13(16)11-12/h1-3,6-7,12-13,15H,4-5,8-11H2
InChIKeyBDYLAKQNVMANBJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.59
Rot. Bonds3

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide (PubChem CID 113225622) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
PubChem CID113225622
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN2CCCC2C1)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-19(18,14-6-2-1-3-7-14)15-12-8-10-16-9-4-5-13(16)11-12/h1-3,6-7,12-13,15H,4-5,8-11H2
InChIKeyBDYLAKQNVMANBJ-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
CID 79032927
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid
CID 112732174
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide
CID 106596203
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073994
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
3-(chloromethyl)-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
CID 91602582
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296915
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide (CID 113225622) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide is O=S(=O)(NC1CCN2CCCC2C1)c1ccccc1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide?
The InChIKey is BDYLAKQNVMANBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18,14-6-2-1-3-7-14)15-12-8-10-16-9-4-5-13(16)11-12/h1-3,6-7,12-13,15H,4-5,8-11H2.
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide is sourced from PubChem (CID 113225622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).