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

C8H16N2S — CID 129370543

IUPAC(9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine
SMILESN[C@H]1CCCN2CCSC[C@@H]12
InChIInChI=1S/C8H16N2S/c9-7-2-1-3-10-4-5-11-6-8(7)10/h7-8H,1-6,9H2/t7-,8-/m0/s1
InChIKeyUWZBGYSOLLBLIX-YUMQZZPRSA-N
MW172.30 g/mol
LogP0.52
Rot. Bonds

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

(9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine (PubChem CID 129370543) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine.

Molecular Properties

Compound Name(9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine
PubChem CID129370543
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name(9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine
SMILESN[C@H]1CCCN2CCSC[C@@H]12
InChIInChI=1S/C8H16N2S/c9-7-2-1-3-10-4-5-11-6-8(7)10/h7-8H,1-6,9H2/t7-,8-/m0/s1
InChIKeyUWZBGYSOLLBLIX-YUMQZZPRSA-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 (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine with MolForge

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Related Compounds

cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564
trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
CID 130759718
1,1-dioxo-4-(1,4-thiazepan-4-yl)thiolan-3-amine
CID 62694304
2-pyrrolidin-1-ylcyclopropan-1-amine
CID 79670204
2-(4-cyclopentylpiperazin-1-yl)cyclohexan-1-amine
CID 62368613
ethane;4-thiomorpholin-4-ylpiperidin-3-amine
CID 144642150
2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
CID 62987288
1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine
CID 62048962
trans-(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentan-1-amine
CID 30819011
2-(azepan-1-yl)cyclopropan-1-amine
CID 79671286
4-(2-methylcycloheptyl)thiomorpholine
CID 142233704
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088

Frequently Asked Questions

What is the IUPAC name of (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine?
The IUPAC name of (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine (CID 129370543) is (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine.
What is the SMILES notation for (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine?
The canonical SMILES for (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine is N[C@H]1CCCN2CCSC[C@@H]12.
What is the InChIKey of (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine?
The InChIKey is UWZBGYSOLLBLIX-YUMQZZPRSA-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/t7-,8-/m0/s1.
What are the key properties of (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine?
(9S,9aR)-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 (9S,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-amine is sourced from PubChem (CID 129370543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).