1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine

C8H15NS — CID 13049192

IUPAC1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine
SMILESC1CCN2CSCCC2C1
InChIInChI=1S/C8H15NS/c1-2-5-9-7-10-6-4-8(9)3-1/h8H,1-7H2
InChIKeyCZJUFZCZAGKZNM-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.94
Rot. Bonds

About 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine

1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine (PubChem CID 13049192) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine.

Molecular Properties

Compound Name1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine
PubChem CID13049192
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine
SMILESC1CCN2CSCCC2C1
InChIInChI=1S/C8H15NS/c1-2-5-9-7-10-6-4-8(9)3-1/h8H,1-7H2
InChIKeyCZJUFZCZAGKZNM-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine?
The IUPAC name of 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine (CID 13049192) is 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine.
What is the SMILES notation for 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine?
The canonical SMILES for 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine is C1CCN2CSCCC2C1.
What is the InChIKey of 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine?
The InChIKey is CZJUFZCZAGKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-5-9-7-10-6-4-8(9)3-1/h8H,1-7H2.
What are the key properties of 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine?
1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine has a molecular weight of 157.28 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]thiazine is sourced from PubChem (CID 13049192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).