4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine

C9H12ClN3S — CID 66465504

IUPAC4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine
SMILESClCc1cncc(N2CCSCC2)n1
InChIInChI=1S/C9H12ClN3S/c10-5-8-6-11-7-9(12-8)13-1-3-14-4-2-13/h6-7H,1-5H2
InChIKeyGZLNKJDOODSQAV-UHFFFAOYSA-N
MW229.74 g/mol
LogP1.77
Rot. Bonds2

About 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine

4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine (PubChem CID 66465504) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine
PubChem CID66465504
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine
SMILESClCc1cncc(N2CCSCC2)n1
InChIInChI=1S/C9H12ClN3S/c10-5-8-6-11-7-9(12-8)13-1-3-14-4-2-13/h6-7H,1-5H2
InChIKeyGZLNKJDOODSQAV-UHFFFAOYSA-N
XLogP1.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine?
The IUPAC name of 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine (CID 66465504) is 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine.
What is the SMILES notation for 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine?
The canonical SMILES for 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine is ClCc1cncc(N2CCSCC2)n1.
What is the InChIKey of 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine?
The InChIKey is GZLNKJDOODSQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3S/c10-5-8-6-11-7-9(12-8)13-1-3-14-4-2-13/h6-7H,1-5H2.
What are the key properties of 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine?
4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine has a molecular weight of 229.74 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine is sourced from PubChem (CID 66465504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).