(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine

C8H16N2S — CID 82411749

IUPAC(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
SMILESC[C@H]1CN2CCSCC2CN1
InChIInChI=1S/C8H16N2S/c1-7-5-10-2-3-11-6-8(10)4-9-7/h7-9H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyNFMWHNULOJIKKT-JAMMHHFISA-N
MW172.30 g/mol
LogP0.40
Rot. Bonds

About (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine

(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine (PubChem CID 82411749) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine.

Molecular Properties

Compound Name(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
PubChem CID82411749
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
SMILESC[C@H]1CN2CCSCC2CN1
InChIInChI=1S/C8H16N2S/c1-7-5-10-2-3-11-6-8(10)4-9-7/h7-9H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyNFMWHNULOJIKKT-JAMMHHFISA-N
XLogP0.40
TPSA15.27 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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine with MolForge

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Related Compounds

(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine
CID 130993898
3-methyl-1-(thiolan-3-yl)piperazine
CID 65417235
[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
CID 130921167
(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
CID 124834800
(3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine
CID 96996203
methyl (7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine-7-carboxylate
CID 131018943
(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
CID 59215818
5-(6-methylpiperidin-3-yl)-1,2,5-dithiazepane
CID 131223573
1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
CID 66667512
1-cyclopropyl-3-methylpiperazine
CID 64926788
2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine
CID 129098843
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine?
The IUPAC name of (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine (CID 82411749) is (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine.
What is the SMILES notation for (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine?
The canonical SMILES for (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine is C[C@H]1CN2CCSCC2CN1.
What is the InChIKey of (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine?
The InChIKey is NFMWHNULOJIKKT-JAMMHHFISA-N. The full InChI is InChI=1S/C8H16N2S/c1-7-5-10-2-3-11-6-8(10)4-9-7/h7-9H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine?
(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine has a molecular weight of 172.30 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine is sourced from PubChem (CID 82411749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).