pyrazin-2-yl(thiolan-3-yl)methanone

C9H10N2OS — CID 105101277

IUPACpyrazin-2-yl(thiolan-3-yl)methanone
SMILESO=C(c1cnccn1)C1CCSC1
InChIInChI=1S/C9H10N2OS/c12-9(7-1-4-13-6-7)8-5-10-2-3-11-8/h2-3,5,7H,1,4,6H2
InChIKeySNLYFPQBTHYVMZ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.41
Rot. Bonds2

About pyrazin-2-yl(thiolan-3-yl)methanone

pyrazin-2-yl(thiolan-3-yl)methanone (PubChem CID 105101277) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is pyrazin-2-yl(thiolan-3-yl)methanone.

Molecular Properties

Compound Namepyrazin-2-yl(thiolan-3-yl)methanone
PubChem CID105101277
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Namepyrazin-2-yl(thiolan-3-yl)methanone
SMILESO=C(c1cnccn1)C1CCSC1
InChIInChI=1S/C9H10N2OS/c12-9(7-1-4-13-6-7)8-5-10-2-3-11-8/h2-3,5,7H,1,4,6H2
InChIKeySNLYFPQBTHYVMZ-UHFFFAOYSA-N
XLogP1.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl-[(3S)-thiolan-3-yl]methanone
CID 99934837
(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-pyrazin-2-ylmethanone
CID 171937495
pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114973069
1,4-diazabicyclo[2.2.2]octan-2-yl(pyrazin-2-yl)methanone
CID 79969896
N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 34260535
[2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone
CID 116584640
(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
CID 105126328
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
CID 130516301

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl(thiolan-3-yl)methanone?
The IUPAC name of pyrazin-2-yl(thiolan-3-yl)methanone (CID 105101277) is pyrazin-2-yl(thiolan-3-yl)methanone.
What is the SMILES notation for pyrazin-2-yl(thiolan-3-yl)methanone?
The canonical SMILES for pyrazin-2-yl(thiolan-3-yl)methanone is O=C(c1cnccn1)C1CCSC1.
What is the InChIKey of pyrazin-2-yl(thiolan-3-yl)methanone?
The InChIKey is SNLYFPQBTHYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c12-9(7-1-4-13-6-7)8-5-10-2-3-11-8/h2-3,5,7H,1,4,6H2.
What are the key properties of pyrazin-2-yl(thiolan-3-yl)methanone?
pyrazin-2-yl(thiolan-3-yl)methanone has a molecular weight of 194.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl(thiolan-3-yl)methanone is sourced from PubChem (CID 105101277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).