3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile

C14H14N4O3S2 — CID 100652937

IUPAC3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H14N4O3S2/c15-9-12-14(17-6-5-16-12)21-11-3-1-7-18(10-11)23(19,20)13-4-2-8-22-13/h2,4-6,8,11H,1,3,7,10H2/t11-/m1/s1
InChIKeyAPPFLMUXLLMNMY-LLVKDONJSA-N
MW350.43 g/mol
LogP1.64
Rot. Bonds4

About 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100652937) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100652937
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC Name3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C14H14N4O3S2/c15-9-12-14(17-6-5-16-12)21-11-3-1-7-18(10-11)23(19,20)13-4-2-8-22-13/h2,4-6,8,11H,1,3,7,10H2/t11-/m1/s1
InChIKeyAPPFLMUXLLMNMY-LLVKDONJSA-N
XLogP1.64
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100653359
3-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrazine-2-carbonitrile
CID 91628098
3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628103
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100653433
5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258626
3-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628106
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626871
3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626857
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636786
3-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636771
3-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636584
5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 129355039

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile (CID 100652937) is 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is APPFLMUXLLMNMY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c15-9-12-14(17-6-5-16-12)21-11-3-1-7-18(10-11)23(19,20)13-4-2-8-22-13/h2,4-6,8,11H,1,3,7,10H2/t11-/m1/s1.
What are the key properties of 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100652937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).