N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C17H25N3OS — CID 51118291

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(NC1CCN2CCCCC12)N1CCCC1c1cccs1
InChIInChI=1S/C17H25N3OS/c21-17(18-13-8-11-19-9-2-1-5-14(13)19)20-10-3-6-15(20)16-7-4-12-22-16/h4,7,12-15H,1-3,5-6,8-11H2,(H,18,21)
InChIKeyWHHMVBNUQMTYDQ-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.22
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 51118291) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID51118291
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(NC1CCN2CCCCC12)N1CCCC1c1cccs1
InChIInChI=1S/C17H25N3OS/c21-17(18-13-8-11-19-9-2-1-5-14(13)19)20-10-3-6-15(20)16-7-4-12-22-16/h4,7,12-15H,1-3,5-6,8-11H2,(H,18,21)
InChIKeyWHHMVBNUQMTYDQ-UHFFFAOYSA-N
XLogP3.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 51118291) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(NC1CCN2CCCCC12)N1CCCC1c1cccs1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is WHHMVBNUQMTYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c21-17(18-13-8-11-19-9-2-1-5-14(13)19)20-10-3-6-15(20)16-7-4-12-22-16/h4,7,12-15H,1-3,5-6,8-11H2,(H,18,21).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 3.22, 2 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)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51118291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).