5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile

C10H12N4O2S2 — CID 66383257

IUPAC5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
SMILESCS(=O)(=O)C1CSCCN1c1cnc(C#N)cn1
InChIInChI=1S/C10H12N4O2S2/c1-18(15,16)10-7-17-3-2-14(10)9-6-12-8(4-11)5-13-9/h5-6,10H,2-3,7H2,1H3
InChIKeyGEQJBSJHCGEQBM-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.27
Rot. Bonds2

About 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile

5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile (PubChem CID 66383257) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
PubChem CID66383257
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
SMILESCS(=O)(=O)C1CSCCN1c1cnc(C#N)cn1
InChIInChI=1S/C10H12N4O2S2/c1-18(15,16)10-7-17-3-2-14(10)9-6-12-8(4-11)5-13-9/h5-6,10H,2-3,7H2,1H3
InChIKeyGEQJBSJHCGEQBM-UHFFFAOYSA-N
XLogP0.27
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile (CID 66383257) is 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile is CS(=O)(=O)C1CSCCN1c1cnc(C#N)cn1.
What is the InChIKey of 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile?
The InChIKey is GEQJBSJHCGEQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-18(15,16)10-7-17-3-2-14(10)9-6-12-8(4-11)5-13-9/h5-6,10H,2-3,7H2,1H3.
What are the key properties of 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile?
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile has a molecular weight of 284.37 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 66383257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).