6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine

C13H15N3O3S — CID 90743876

IUPAC6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine
SMILESCOc1ccc(S(=O)(=O)Cc2nc(N)cnc2C)cc1
InChIInChI=1S/C13H15N3O3S/c1-9-12(16-13(14)7-15-9)8-20(17,18)11-5-3-10(19-2)4-6-11/h3-7H,8H2,1-2H3,(H2,14,16)
InChIKeyQBUOIYMLOFHSRM-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.35
Rot. Bonds4

About 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine

6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine (PubChem CID 90743876) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine
PubChem CID90743876
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine
SMILESCOc1ccc(S(=O)(=O)Cc2nc(N)cnc2C)cc1
InChIInChI=1S/C13H15N3O3S/c1-9-12(16-13(14)7-15-9)8-20(17,18)11-5-3-10(19-2)4-6-11/h3-7H,8H2,1-2H3,(H2,14,16)
InChIKeyQBUOIYMLOFHSRM-UHFFFAOYSA-N
XLogP1.35
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine?
The IUPAC name of 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine (CID 90743876) is 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine.
What is the SMILES notation for 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine?
The canonical SMILES for 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine is COc1ccc(S(=O)(=O)Cc2nc(N)cnc2C)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine?
The InChIKey is QBUOIYMLOFHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-12(16-13(14)7-15-9)8-20(17,18)11-5-3-10(19-2)4-6-11/h3-7H,8H2,1-2H3,(H2,14,16).
What are the key properties of 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine?
6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine has a molecular weight of 293.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)sulfonylmethyl]-5-methylpyrazin-2-amine is sourced from PubChem (CID 90743876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).