N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide

C19H30N2O2S — CID 86989325

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCN2CCCCC12
InChIInChI=1S/C19H30N2O2S/c1-14-8-9-15(19(2,3)4)13-18(14)24(22,23)20-16-10-12-21-11-6-5-7-17(16)21/h8-9,13,16-17,20H,5-7,10-12H2,1-4H3
InChIKeyWGDNOBCMTWJQIV-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.20
Rot. Bonds3

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide (PubChem CID 86989325) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide
PubChem CID86989325
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCN2CCCCC12
InChIInChI=1S/C19H30N2O2S/c1-14-8-9-15(19(2,3)4)13-18(14)24(22,23)20-16-10-12-21-11-6-5-7-17(16)21/h8-9,13,16-17,20H,5-7,10-12H2,1-4H3
InChIKeyWGDNOBCMTWJQIV-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 52508786
5-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]sulfamoyl]-2-methylbenzamide
CID 94081793
2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62157554
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-acetylbenzenesulfonamide
CID 100838682
5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide
CID 153311127
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
4-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzenesulfonamide
CID 82845893
1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 3943095
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
CID 114958264
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
CID 62158279

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide (CID 86989325) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide?
The InChIKey is WGDNOBCMTWJQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-14-8-9-15(19(2,3)4)13-18(14)24(22,23)20-16-10-12-21-11-6-5-7-17(16)21/h8-9,13,16-17,20H,5-7,10-12H2,1-4H3.
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide has a molecular weight of 350.53 g/mol, XLogP of 3.20, 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-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 86989325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).