6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine

C11H11N3O2S2 — CID 80647495

IUPAC6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(Sc2cncc(N)n2)cc1
InChIInChI=1S/C11H11N3O2S2/c1-18(15,16)9-4-2-8(3-5-9)17-11-7-13-6-10(12)14-11/h2-7H,1H3,(H2,12,14)
InChIKeyNNFKQFWOGGYTAC-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.61
Rot. Bonds3

About 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine

6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine (PubChem CID 80647495) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine
PubChem CID80647495
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(Sc2cncc(N)n2)cc1
InChIInChI=1S/C11H11N3O2S2/c1-18(15,16)9-4-2-8(3-5-9)17-11-7-13-6-10(12)14-11/h2-7H,1H3,(H2,12,14)
InChIKeyNNFKQFWOGGYTAC-UHFFFAOYSA-N
XLogP1.61
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylsulfonylphenyl)sulfanylpyridine-2,3-diamine
CID 79826303
5-bromo-2-(4-methylsulfonylphenyl)sulfanylpyridine
CID 63237967
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
4-chloro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 55175211
4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 113305742
6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine
CID 133301281
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine
CID 63238267
N'-hydroxy-2-(4-methylsulfonylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 136678459
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 63237915
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 63238136

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine (CID 80647495) is 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine is CS(=O)(=O)c1ccc(Sc2cncc(N)n2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine?
The InChIKey is NNFKQFWOGGYTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-18(15,16)9-4-2-8(3-5-9)17-11-7-13-6-10(12)14-11/h2-7H,1H3,(H2,12,14).
What are the key properties of 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine?
6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80647495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).