N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide

C23H37N3O2S — CID 10273596

IUPACN-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide
SMILESCN(c1ccc(C2CCC3CCCCN32)cc1)S(=O)(=O)CCCN1CCCCC1
InChIInChI=1S/C23H37N3O2S/c1-24(29(27,28)19-7-17-25-15-4-2-5-16-25)21-11-9-20(10-12-21)23-14-13-22-8-3-6-18-26(22)23/h9-12,22-23H,2-8,13-19H2,1H3
InChIKeyHARPGZXZVGJKOH-UHFFFAOYSA-N
MW419.64 g/mol
LogP4.02
Rot. Bonds7

About N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide

N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide (PubChem CID 10273596) has the molecular formula C23H37N3O2S and a molecular weight of 419.64 g/mol. Its IUPAC name is N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide
PubChem CID10273596
Molecular FormulaC23H37N3O2S
Molecular Weight419.64 g/mol
Exact Mass419.26
IUPAC NameN-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide
SMILESCN(c1ccc(C2CCC3CCCCN32)cc1)S(=O)(=O)CCCN1CCCCC1
InChIInChI=1S/C23H37N3O2S/c1-24(29(27,28)19-7-17-25-15-4-2-5-16-25)21-11-9-20(10-12-21)23-14-13-22-8-3-6-18-26(22)23/h9-12,22-23H,2-8,13-19H2,1H3
InChIKeyHARPGZXZVGJKOH-UHFFFAOYSA-N
XLogP4.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide?
The IUPAC name of N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide (CID 10273596) is N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide?
The canonical SMILES for N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide is CN(c1ccc(C2CCC3CCCCN32)cc1)S(=O)(=O)CCCN1CCCCC1.
What is the InChIKey of N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide?
The InChIKey is HARPGZXZVGJKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2S/c1-24(29(27,28)19-7-17-25-15-4-2-5-16-25)21-11-9-20(10-12-21)23-14-13-22-8-3-6-18-26(22)23/h9-12,22-23H,2-8,13-19H2,1H3.
What are the key properties of N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide?
N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide has a molecular weight of 419.64 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide is sourced from PubChem (CID 10273596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).