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

C12H14N4O3S — CID 91626871

IUPAC3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H14N4O3S/c13-7-11-12(15-5-4-14-11)19-9-3-6-16(8-9)20(17,18)10-1-2-10/h4-5,9-10H,1-3,6,8H2
InChIKeyARCGYOMQCMMTLZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.29
Rot. Bonds4

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

3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (PubChem CID 91626871) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
PubChem CID91626871
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H14N4O3S/c13-7-11-12(15-5-4-14-11)19-9-3-6-16(8-9)20(17,18)10-1-2-10/h4-5,9-10H,1-3,6,8H2
InChIKeyARCGYOMQCMMTLZ-UHFFFAOYSA-N
XLogP0.29
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The IUPAC name of 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (CID 91626871) is 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The InChIKey is ARCGYOMQCMMTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-7-11-12(15-5-4-14-11)19-9-3-6-16(8-9)20(17,18)10-1-2-10/h4-5,9-10H,1-3,6,8H2.
What are the key properties of 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile has a molecular weight of 294.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91626871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).