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

C15H20N4O3S — CID 91626874

IUPAC3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C15H20N4O3S/c16-10-14-15(18-8-7-17-14)22-12-6-9-19(11-12)23(20,21)13-4-2-1-3-5-13/h7-8,12-13H,1-6,9,11H2
InChIKeyUWJAEJDGCKAABR-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.46
Rot. Bonds4

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

3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (PubChem CID 91626874) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
PubChem CID91626874
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C15H20N4O3S/c16-10-14-15(18-8-7-17-14)22-12-6-9-19(11-12)23(20,21)13-4-2-1-3-5-13/h7-8,12-13H,1-6,9,11H2
InChIKeyUWJAEJDGCKAABR-UHFFFAOYSA-N
XLogP1.46
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The IUPAC name of 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (CID 91626874) is 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The InChIKey is UWJAEJDGCKAABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c16-10-14-15(18-8-7-17-14)22-12-6-9-19(11-12)23(20,21)13-4-2-1-3-5-13/h7-8,12-13H,1-6,9,11H2.
What are the key properties of 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile has a molecular weight of 336.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91626874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).