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

C16H22N4O3S — CID 100653359

IUPAC3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C16H22N4O3S/c17-11-15-16(19-9-8-18-15)23-13-5-4-10-20(12-13)24(21,22)14-6-2-1-3-7-14/h8-9,13-14H,1-7,10,12H2/t13-/m1/s1
InChIKeyZWGBZVNNQJCCKP-CYBMUJFWSA-N
MW350.44 g/mol
LogP1.85
Rot. Bonds4

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

3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100653359) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100653359
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C16H22N4O3S/c17-11-15-16(19-9-8-18-15)23-13-5-4-10-20(12-13)24(21,22)14-6-2-1-3-7-14/h8-9,13-14H,1-7,10,12H2/t13-/m1/s1
InChIKeyZWGBZVNNQJCCKP-CYBMUJFWSA-N
XLogP1.85
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile (CID 100653359) is 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is ZWGBZVNNQJCCKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O3S/c17-11-15-16(19-9-8-18-15)23-13-5-4-10-20(12-13)24(21,22)14-6-2-1-3-7-14/h8-9,13-14H,1-7,10,12H2/t13-/m1/s1.
What are the key properties of 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 350.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-cyclohexylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100653359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).