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

C8H16N2O3S — CID 59215777

IUPAC[(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
SMILESO=S1(=O)CCN2C[C@@H](CO)NCC2C1
InChIInChI=1S/C8H16N2O3S/c11-5-7-4-10-1-2-14(12,13)6-8(10)3-9-7/h7-9,11H,1-6H2/t7-,8?/m0/s1
InChIKeyHXQOJSREEGVBIN-JAMMHHFISA-N
MW220.29 g/mol
LogP-1.95
Rot. Bonds1

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

[(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol (PubChem CID 59215777) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol.

Molecular Properties

Compound Name[(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
PubChem CID59215777
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name[(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
SMILESO=S1(=O)CCN2C[C@@H](CO)NCC2C1
InChIInChI=1S/C8H16N2O3S/c11-5-7-4-10-1-2-14(12,13)6-8(10)3-9-7/h7-9,11H,1-6H2/t7-,8?/m0/s1
InChIKeyHXQOJSREEGVBIN-JAMMHHFISA-N
XLogP-1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol?
The IUPAC name of [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol (CID 59215777) is [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol.
What is the SMILES notation for [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol?
The canonical SMILES for [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol is O=S1(=O)CCN2C[C@@H](CO)NCC2C1.
What is the InChIKey of [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol?
The InChIKey is HXQOJSREEGVBIN-JAMMHHFISA-N. The full InChI is InChI=1S/C8H16N2O3S/c11-5-7-4-10-1-2-14(12,13)6-8(10)3-9-7/h7-9,11H,1-6H2/t7-,8?/m0/s1.
What are the key properties of [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol?
[(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol has a molecular weight of 220.29 g/mol, XLogP of -1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2,2-dioxo-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol is sourced from PubChem (CID 59215777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).