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

C13H22N2O3S — CID 51081048

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC1CCN2CCCCC12)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O3S/c16-13(10-5-8-19(17,18)9-10)14-11-4-7-15-6-2-1-3-12(11)15/h10-12H,1-9H2,(H,14,16)
InChIKeyZTDOFYWIYYORKQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.16
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 51081048) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide
PubChem CID51081048
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC1CCN2CCCCC12)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H22N2O3S/c16-13(10-5-8-19(17,18)9-10)14-11-4-7-15-6-2-1-3-12(11)15/h10-12H,1-9H2,(H,14,16)
InChIKeyZTDOFYWIYYORKQ-UHFFFAOYSA-N
XLogP0.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide (CID 51081048) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide is O=C(NC1CCN2CCCCC12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is ZTDOFYWIYYORKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c16-13(10-5-8-19(17,18)9-10)14-11-4-7-15-6-2-1-3-12(11)15/h10-12H,1-9H2,(H,14,16).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 51081048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).