1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one

C10H14N2O4S — CID 115797004

IUPAC1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
SMILESCOc1nccnc1C(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H14N2O4S/c1-10(2,17(4,14)15)8(13)7-9(16-3)12-6-5-11-7/h5-6H,1-4H3
InChIKeyUEFOEXRZGFUTAW-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.49
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one

1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one (PubChem CID 115797004) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
PubChem CID115797004
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
SMILESCOc1nccnc1C(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H14N2O4S/c1-10(2,17(4,14)15)8(13)7-9(16-3)12-6-5-11-7/h5-6H,1-4H3
InChIKeyUEFOEXRZGFUTAW-UHFFFAOYSA-N
XLogP0.49
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one (CID 115797004) is 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one is COc1nccnc1C(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The InChIKey is UEFOEXRZGFUTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,17(4,14)15)8(13)7-9(16-3)12-6-5-11-7/h5-6H,1-4H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one?
1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one has a molecular weight of 258.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-methyl-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 115797004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).