1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one

C9H11N3O2S — CID 168708682

IUPAC1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESCOc1cnc(N2CC(S)CC2=O)cn1
InChIInChI=1S/C9H11N3O2S/c1-14-8-4-10-7(3-11-8)12-5-6(15)2-9(12)13/h3-4,6,15H,2,5H2,1H3
InChIKeyOMNQYXGKKTXDQX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.52
Rot. Bonds2

About 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one

1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168708682) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one
PubChem CID168708682
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESCOc1cnc(N2CC(S)CC2=O)cn1
InChIInChI=1S/C9H11N3O2S/c1-14-8-4-10-7(3-11-8)12-5-6(15)2-9(12)13/h3-4,6,15H,2,5H2,1H3
InChIKeyOMNQYXGKKTXDQX-UHFFFAOYSA-N
XLogP0.52
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carboxylate
CID 168708485
1-(4-methylpyrimidin-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709168
1-(6-chloro-5-methyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709069
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
1-(6-methoxy-1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168708570
1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709041
1-[4-(2-methoxyethoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708506
1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708315
methyl 5-bromo-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carboxylate
CID 168708408
1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709125

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one (CID 168708682) is 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one is COc1cnc(N2CC(S)CC2=O)cn1.
What is the InChIKey of 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is OMNQYXGKKTXDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-14-8-4-10-7(3-11-8)12-5-6(15)2-9(12)13/h3-4,6,15H,2,5H2,1H3.
What are the key properties of 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one?
1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 225.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrazin-2-yl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168708682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).