[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol

C8H16N2OS — CID 130921167

IUPAC[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
SMILESOC[C@H]1CN2CCSC[C@@H]2CN1
InChIInChI=1S/C8H16N2OS/c11-5-7-4-10-1-2-12-6-8(10)3-9-7/h7-9,11H,1-6H2/t7-,8+/m1/s1
InChIKeyGVGCIXJCWXCESS-SFYZADRCSA-N
MW188.30 g/mol
LogP-0.63
Rot. Bonds1

About [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol

[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol (PubChem CID 130921167) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol.

Molecular Properties

Compound Name[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
PubChem CID130921167
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
SMILESOC[C@H]1CN2CCSC[C@@H]2CN1
InChIInChI=1S/C8H16N2OS/c11-5-7-4-10-1-2-12-6-8(10)3-9-7/h7-9,11H,1-6H2/t7-,8+/m1/s1
InChIKeyGVGCIXJCWXCESS-SFYZADRCSA-N
XLogP-0.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol with MolForge

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Related Compounds

(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
CID 82411749
[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol
CID 59215758
methyl (7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine-7-carboxylate
CID 131018943
[(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
CID 59215777
3-(chloromethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 130774969
[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol
CID 103892734
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine
CID 129098843
aziridin-2-ylmethanol
CID 11286436
3-methyl-1-(thiolan-3-yl)piperazine
CID 65417235
1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
CID 82407616
(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine
CID 130993898

Frequently Asked Questions

What is the IUPAC name of [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol?
The IUPAC name of [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol (CID 130921167) is [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol.
What is the SMILES notation for [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol?
The canonical SMILES for [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol is OC[C@H]1CN2CCSC[C@@H]2CN1.
What is the InChIKey of [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol?
The InChIKey is GVGCIXJCWXCESS-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16N2OS/c11-5-7-4-10-1-2-12-6-8(10)3-9-7/h7-9,11H,1-6H2/t7-,8+/m1/s1.
What are the key properties of [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol?
[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol has a molecular weight of 188.30 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol is sourced from PubChem (CID 130921167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).