3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile

C10H12N4O3S — CID 91626857

IUPAC3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESCS(=O)(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C10H12N4O3S/c1-18(15,16)14-5-2-8(7-14)17-10-9(6-11)12-3-4-13-10/h3-4,8H,2,5,7H2,1H3
InChIKeyAUNUHGDRBWZFOY-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.24
Rot. Bonds3

About 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile

3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (PubChem CID 91626857) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
PubChem CID91626857
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESCS(=O)(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C10H12N4O3S/c1-18(15,16)14-5-2-8(7-14)17-10-9(6-11)12-3-4-13-10/h3-4,8H,2,5,7H2,1H3
InChIKeyAUNUHGDRBWZFOY-UHFFFAOYSA-N
XLogP-0.24
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The IUPAC name of 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (CID 91626857) is 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is CS(=O)(=O)N1CCC(Oc2nccnc2C#N)C1.
What is the InChIKey of 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The InChIKey is AUNUHGDRBWZFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-18(15,16)14-5-2-8(7-14)17-10-9(6-11)12-3-4-13-10/h3-4,8H,2,5,7H2,1H3.
What are the key properties of 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile has a molecular weight of 268.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91626857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).