(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone

C11H14N2O3S — CID 105126328

IUPAC(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
SMILESCOc1cnc(C(=O)C2CCSC2)c(OC)n1
InChIInChI=1S/C11H14N2O3S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-3-4-17-6-7/h5,7H,3-4,6H2,1-2H3
InChIKeyOBEGUFYEGMGTFS-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.43
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone

(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone (PubChem CID 105126328) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
PubChem CID105126328
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
SMILESCOc1cnc(C(=O)C2CCSC2)c(OC)n1
InChIInChI=1S/C11H14N2O3S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-3-4-17-6-7/h5,7H,3-4,6H2,1-2H3
InChIKeyOBEGUFYEGMGTFS-UHFFFAOYSA-N
XLogP1.43
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone (CID 105126328) is (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone is COc1cnc(C(=O)C2CCSC2)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone?
The InChIKey is OBEGUFYEGMGTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-15-8-5-12-9(11(13-8)16-2)10(14)7-3-4-17-6-7/h5,7H,3-4,6H2,1-2H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone?
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 105126328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).