4-(5-methylpyrazin-2-yl)thiomorpholine

C9H13N3S — CID 170234330

IUPAC4-(5-methylpyrazin-2-yl)thiomorpholine
SMILESCc1cnc(N2CCSCC2)cn1
InChIInChI=1S/C9H13N3S/c1-8-6-11-9(7-10-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3
InChIKeyNEKZOJITXVWUHM-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.34
Rot. Bonds1

About 4-(5-methylpyrazin-2-yl)thiomorpholine

4-(5-methylpyrazin-2-yl)thiomorpholine (PubChem CID 170234330) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-(5-methylpyrazin-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5-methylpyrazin-2-yl)thiomorpholine
PubChem CID170234330
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name4-(5-methylpyrazin-2-yl)thiomorpholine
SMILESCc1cnc(N2CCSCC2)cn1
InChIInChI=1S/C9H13N3S/c1-8-6-11-9(7-10-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3
InChIKeyNEKZOJITXVWUHM-UHFFFAOYSA-N
XLogP1.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazin-2-yl)thiomorpholine?
The IUPAC name of 4-(5-methylpyrazin-2-yl)thiomorpholine (CID 170234330) is 4-(5-methylpyrazin-2-yl)thiomorpholine.
What is the SMILES notation for 4-(5-methylpyrazin-2-yl)thiomorpholine?
The canonical SMILES for 4-(5-methylpyrazin-2-yl)thiomorpholine is Cc1cnc(N2CCSCC2)cn1.
What is the InChIKey of 4-(5-methylpyrazin-2-yl)thiomorpholine?
The InChIKey is NEKZOJITXVWUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-8-6-11-9(7-10-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-methylpyrazin-2-yl)thiomorpholine?
4-(5-methylpyrazin-2-yl)thiomorpholine has a molecular weight of 195.29 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazin-2-yl)thiomorpholine is sourced from PubChem (CID 170234330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).