1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine

C8H16N2S — CID 82411746

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine
SMILESNC1CCCN2CCSCC12
InChIInChI=1S/C8H16N2S/c9-7-2-1-3-10-4-5-11-6-8(7)10/h7-8H,1-6,9H2
InChIKeyUWZBGYSOLLBLIX-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.52
Rot. Bonds

About 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine

1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine (PubChem CID 82411746) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine
PubChem CID82411746
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine
SMILESNC1CCCN2CCSCC12
InChIInChI=1S/C8H16N2S/c9-7-2-1-3-10-4-5-11-6-8(7)10/h7-8H,1-6,9H2
InChIKeyUWZBGYSOLLBLIX-UHFFFAOYSA-N
XLogP0.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine 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 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine (CID 82411746) is 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine is NC1CCCN2CCSCC12.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine?
The InChIKey is UWZBGYSOLLBLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c9-7-2-1-3-10-4-5-11-6-8(7)10/h7-8H,1-6,9H2.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine?
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine has a molecular weight of 172.30 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine is sourced from PubChem (CID 82411746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).