4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one

C10H14N2O3S — CID 65098159

IUPAC4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
SMILESCCS(=O)(=O)CCCC(=O)c1cnccn1
InChIInChI=1S/C10H14N2O3S/c1-2-16(14,15)7-3-4-10(13)9-8-11-5-6-12-9/h5-6,8H,2-4,7H2,1H3
InChIKeyLMIPZECDDZJBEM-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.87
Rot. Bonds6

About 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one

4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one (PubChem CID 65098159) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
PubChem CID65098159
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
SMILESCCS(=O)(=O)CCCC(=O)c1cnccn1
InChIInChI=1S/C10H14N2O3S/c1-2-16(14,15)7-3-4-10(13)9-8-11-5-6-12-9/h5-6,8H,2-4,7H2,1H3
InChIKeyLMIPZECDDZJBEM-UHFFFAOYSA-N
XLogP0.87
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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7-amino-1-pyrazin-2-ylheptan-1-one
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5-amino-1-pyrazin-2-ylhexan-1-one
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4-ethylsulfonyl-1-pyrimidin-2-ylbutan-1-one
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4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
5-amino-4-methyl-1-pyrazin-2-ylpentan-1-one
CID 116607604
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one
CID 70926527
3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one
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4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one (CID 65098159) is 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one is CCS(=O)(=O)CCCC(=O)c1cnccn1.
What is the InChIKey of 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one?
The InChIKey is LMIPZECDDZJBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-16(14,15)7-3-4-10(13)9-8-11-5-6-12-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one?
4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one has a molecular weight of 242.30 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 65098159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).