2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine

C11H17N3OS — CID 71643453

IUPAC2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine
SMILESCSc1nccnc1CO[C@@H]1CCCNC1
InChIInChI=1S/C11H17N3OS/c1-16-11-10(13-5-6-14-11)8-15-9-3-2-4-12-7-9/h5-6,9,12H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyHXTOPBUZCLYATF-SECBINFHSA-N
MW239.34 g/mol
LogP1.47
Rot. Bonds4

About 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine

2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine (PubChem CID 71643453) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine.

Molecular Properties

Compound Name2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine
PubChem CID71643453
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine
SMILESCSc1nccnc1CO[C@@H]1CCCNC1
InChIInChI=1S/C11H17N3OS/c1-16-11-10(13-5-6-14-11)8-15-9-3-2-4-12-7-9/h5-6,9,12H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyHXTOPBUZCLYATF-SECBINFHSA-N
XLogP1.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine?
The IUPAC name of 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine (CID 71643453) is 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine.
What is the SMILES notation for 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine?
The canonical SMILES for 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine is CSc1nccnc1CO[C@@H]1CCCNC1.
What is the InChIKey of 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine?
The InChIKey is HXTOPBUZCLYATF-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-16-11-10(13-5-6-14-11)8-15-9-3-2-4-12-7-9/h5-6,9,12H,2-4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine?
2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine has a molecular weight of 239.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[[(3R)-piperidin-3-yl]oxymethyl]pyrazine is sourced from PubChem (CID 71643453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).