2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone

C10H14N2OS — CID 65136340

IUPAC2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone
SMILESCCC(C)SCC(=O)c1cnccn1
InChIInChI=1S/C10H14N2OS/c1-3-8(2)14-7-10(13)9-6-11-4-5-12-9/h4-6,8H,3,7H2,1-2H3
InChIKeyYAKWNAXTCCSVND-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.19
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone

2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone (PubChem CID 65136340) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone
PubChem CID65136340
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone
SMILESCCC(C)SCC(=O)c1cnccn1
InChIInChI=1S/C10H14N2OS/c1-3-8(2)14-7-10(13)9-6-11-4-5-12-9/h4-6,8H,3,7H2,1-2H3
InChIKeyYAKWNAXTCCSVND-UHFFFAOYSA-N
XLogP2.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylsulfanyl)-1-pyrazin-2-ylethanone
CID 65135320
4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
1-pyrazin-2-ylhexan-1-one
CID 22507174
2-amino-1-pyrazin-2-ylbutan-1-one
CID 116584056
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 65136460
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
5-amino-1-pyrazin-2-ylhexan-1-one
CID 116610178
5-amino-4-methyl-1-pyrazin-2-ylpentan-1-one
CID 116607604
2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone
CID 64770824
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one
CID 103447153
2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone
CID 66070961

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone?
The IUPAC name of 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone (CID 65136340) is 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone is CCC(C)SCC(=O)c1cnccn1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone?
The InChIKey is YAKWNAXTCCSVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-8(2)14-7-10(13)9-6-11-4-5-12-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone?
2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone has a molecular weight of 210.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone is sourced from PubChem (CID 65136340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).