5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine

C12H13N3O3S — CID 103058824

IUPAC5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(OCc2cnc(N)cn2)cc1
InChIInChI=1S/C12H13N3O3S/c1-19(16,17)11-4-2-10(3-5-11)18-8-9-6-15-12(13)7-14-9/h2-7H,8H2,1H3,(H2,13,15)
InChIKeyPNRVRICKOPPFGV-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.04
Rot. Bonds4

About 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine

5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine (PubChem CID 103058824) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine
PubChem CID103058824
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(OCc2cnc(N)cn2)cc1
InChIInChI=1S/C12H13N3O3S/c1-19(16,17)11-4-2-10(3-5-11)18-8-9-6-15-12(13)7-14-9/h2-7H,8H2,1H3,(H2,13,15)
InChIKeyPNRVRICKOPPFGV-UHFFFAOYSA-N
XLogP1.04
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine?
The IUPAC name of 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine (CID 103058824) is 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine?
The canonical SMILES for 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine is CS(=O)(=O)c1ccc(OCc2cnc(N)cn2)cc1.
What is the InChIKey of 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine?
The InChIKey is PNRVRICKOPPFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-19(16,17)11-4-2-10(3-5-11)18-8-9-6-15-12(13)7-14-9/h2-7H,8H2,1H3,(H2,13,15).
What are the key properties of 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine?
5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine has a molecular weight of 279.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine is sourced from PubChem (CID 103058824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).