3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile

C13H17N5O4S — CID 90636823

IUPAC3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H17N5O4S/c14-9-12-13(16-3-2-15-12)22-11-1-4-18(10-11)23(19,20)17-5-7-21-8-6-17/h2-3,11H,1,4-8,10H2
InChIKeyDDMHNGVOMDABBD-UHFFFAOYSA-N
MW339.38 g/mol
LogP-0.62
Rot. Bonds4

About 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile

3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (PubChem CID 90636823) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
PubChem CID90636823
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC Name3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H17N5O4S/c14-9-12-13(16-3-2-15-12)22-11-1-4-18(10-11)23(19,20)17-5-7-21-8-6-17/h2-3,11H,1,4-8,10H2
InChIKeyDDMHNGVOMDABBD-UHFFFAOYSA-N
XLogP-0.62
TPSA108.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The IUPAC name of 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (CID 90636823) is 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The InChIKey is DDMHNGVOMDABBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4S/c14-9-12-13(16-3-2-15-12)22-11-1-4-18(10-11)23(19,20)17-5-7-21-8-6-17/h2-3,11H,1,4-8,10H2.
What are the key properties of 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile has a molecular weight of 339.38 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 90636823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).