N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C19H27N3O3S — CID 52508786

IUPACN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C19H27N3O3S/c1-14-13-15(22-11-4-6-19(22)23)7-8-18(14)26(24,25)20-16-9-12-21-10-3-2-5-17(16)21/h7-8,13,16-17,20H,2-6,9-12H2,1H3/t16-,17+/m0/s1
InChIKeyOCWDLWLLGYKUBS-DLBZAZTESA-N
MW377.51 g/mol
LogP2.03
Rot. Bonds4

About N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 52508786) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID52508786
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C19H27N3O3S/c1-14-13-15(22-11-4-6-19(22)23)7-8-18(14)26(24,25)20-16-9-12-21-10-3-2-5-17(16)21/h7-8,13,16-17,20H,2-6,9-12H2,1H3/t16-,17+/m0/s1
InChIKeyOCWDLWLLGYKUBS-DLBZAZTESA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide with MolForge

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Related Compounds

N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide
CID 86989325
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137630
N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide
CID 51126448
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51126451
methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
CID 75443856
N-(2-ethoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86848405
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
N-(2-chloro-4-methoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86858451
5-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]sulfamoyl]-2-methylbenzamide
CID 94081793
(4-acetamidophenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769081
N,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47081395

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 52508786) is N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12.
What is the InChIKey of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is OCWDLWLLGYKUBS-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-14-13-15(22-11-4-6-19(22)23)7-8-18(14)26(24,25)20-16-9-12-21-10-3-2-5-17(16)21/h7-8,13,16-17,20H,2-6,9-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 52508786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).