6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one

C11H12N4O3S — CID 155662432

IUPAC6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one
SMILESO=C1CSc2ncc([C@H]3CC(CO)NC3=O)nc2N1
InChIInChI=1S/C11H12N4O3S/c16-3-5-1-6(10(18)13-5)7-2-12-11-9(14-7)15-8(17)4-19-11/h2,5-6,16H,1,3-4H2,(H,13,18)(H,14,15,17)/t5?,6-/m1/s1
InChIKeyQJZYHDBJDYNRBM-PRJDIBJQSA-N
MW280.31 g/mol
LogP-0.51
Rot. Bonds2

About 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one

6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one (PubChem CID 155662432) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one
PubChem CID155662432
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one
SMILESO=C1CSc2ncc([C@H]3CC(CO)NC3=O)nc2N1
InChIInChI=1S/C11H12N4O3S/c16-3-5-1-6(10(18)13-5)7-2-12-11-9(14-7)15-8(17)4-19-11/h2,5-6,16H,1,3-4H2,(H,13,18)(H,14,15,17)/t5?,6-/m1/s1
InChIKeyQJZYHDBJDYNRBM-PRJDIBJQSA-N
XLogP-0.51
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one?
The IUPAC name of 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one (CID 155662432) is 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one is O=C1CSc2ncc([C@H]3CC(CO)NC3=O)nc2N1.
What is the InChIKey of 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one?
The InChIKey is QJZYHDBJDYNRBM-PRJDIBJQSA-N. The full InChI is InChI=1S/C11H12N4O3S/c16-3-5-1-6(10(18)13-5)7-2-12-11-9(14-7)15-8(17)4-19-11/h2,5-6,16H,1,3-4H2,(H,13,18)(H,14,15,17)/t5?,6-/m1/s1.
What are the key properties of 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one?
6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one has a molecular weight of 280.31 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one is sourced from PubChem (CID 155662432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).