2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine

C12H19N3OS — CID 97165062

IUPAC2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine
SMILESCSc1nccnc1COC[C@H]1CCCNC1
InChIInChI=1S/C12H19N3OS/c1-17-12-11(14-5-6-15-12)9-16-8-10-3-2-4-13-7-10/h5-6,10,13H,2-4,7-9H2,1H3/t10-/m0/s1
InChIKeyZKNPQBUBTKHDTA-JTQLQIEISA-N
MW253.37 g/mol
LogP1.71
Rot. Bonds5

About 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine

2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine (PubChem CID 97165062) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine.

Molecular Properties

Compound Name2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine
PubChem CID97165062
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine
SMILESCSc1nccnc1COC[C@H]1CCCNC1
InChIInChI=1S/C12H19N3OS/c1-17-12-11(14-5-6-15-12)9-16-8-10-3-2-4-13-7-10/h5-6,10,13H,2-4,7-9H2,1H3/t10-/m0/s1
InChIKeyZKNPQBUBTKHDTA-JTQLQIEISA-N
XLogP1.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-(piperidin-3-ylmethoxymethyl)pyrazine
CID 71640652
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
2-methylsulfanyl-3-(piperidin-4-yloxymethyl)pyrazine
CID 71643465
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
3-methoxy-6-(piperidin-3-ylmethoxymethyl)pyridazine
CID 114268734
3-[(1-methylpyrazol-4-yl)methoxymethyl]piperidine
CID 62340735
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
CID 63880785
3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine
CID 103173413
3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile
CID 114484471
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine?
The IUPAC name of 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine (CID 97165062) is 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine.
What is the SMILES notation for 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine?
The canonical SMILES for 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine is CSc1nccnc1COC[C@H]1CCCNC1.
What is the InChIKey of 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine?
The InChIKey is ZKNPQBUBTKHDTA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3OS/c1-17-12-11(14-5-6-15-12)9-16-8-10-3-2-4-13-7-10/h5-6,10,13H,2-4,7-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine?
2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine has a molecular weight of 253.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine is sourced from PubChem (CID 97165062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).