6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine

C9H14N4O2S2 — CID 80648375

IUPAC6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
SMILESCS(=O)(=O)C1CSCCN1c1cncc(N)n1
InChIInChI=1S/C9H14N4O2S2/c1-17(14,15)9-6-16-3-2-13(9)8-5-11-4-7(10)12-8/h4-5,9H,2-3,6H2,1H3,(H2,10,12)
InChIKeyUKMODSQDNAEUHH-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.02
Rot. Bonds2

About 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine

6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine (PubChem CID 80648375) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
PubChem CID80648375
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
SMILESCS(=O)(=O)C1CSCCN1c1cncc(N)n1
InChIInChI=1S/C9H14N4O2S2/c1-17(14,15)9-6-16-3-2-13(9)8-5-11-4-7(10)12-8/h4-5,9H,2-3,6H2,1H3,(H2,10,12)
InChIKeyUKMODSQDNAEUHH-UHFFFAOYSA-N
XLogP-0.02
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine?
The IUPAC name of 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine (CID 80648375) is 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine?
The canonical SMILES for 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine is CS(=O)(=O)C1CSCCN1c1cncc(N)n1.
What is the InChIKey of 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine?
The InChIKey is UKMODSQDNAEUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-17(14,15)9-6-16-3-2-13(9)8-5-11-4-7(10)12-8/h4-5,9H,2-3,6H2,1H3,(H2,10,12).
What are the key properties of 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine?
6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine has a molecular weight of 274.37 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 80648375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).