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

C8H10BrN3S — CID 59277131

IUPAC4-(5-bromopyrazin-2-yl)thiomorpholine
SMILESBrc1cnc(N2CCSCC2)cn1
InChIInChI=1S/C8H10BrN3S/c9-7-5-11-8(6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyAFKKNOAEGDNHRA-UHFFFAOYSA-N
MW260.16 g/mol
LogP1.79
Rot. Bonds1

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

4-(5-bromopyrazin-2-yl)thiomorpholine (PubChem CID 59277131) has the molecular formula C8H10BrN3S and a molecular weight of 260.16 g/mol. Its IUPAC name is 4-(5-bromopyrazin-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5-bromopyrazin-2-yl)thiomorpholine
PubChem CID59277131
Molecular FormulaC8H10BrN3S
Molecular Weight260.16 g/mol
Exact Mass258.98
IUPAC Name4-(5-bromopyrazin-2-yl)thiomorpholine
SMILESBrc1cnc(N2CCSCC2)cn1
InChIInChI=1S/C8H10BrN3S/c9-7-5-11-8(6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyAFKKNOAEGDNHRA-UHFFFAOYSA-N
XLogP1.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrazin-2-yl)thiomorpholine?
The IUPAC name of 4-(5-bromopyrazin-2-yl)thiomorpholine (CID 59277131) is 4-(5-bromopyrazin-2-yl)thiomorpholine.
What is the SMILES notation for 4-(5-bromopyrazin-2-yl)thiomorpholine?
The canonical SMILES for 4-(5-bromopyrazin-2-yl)thiomorpholine is Brc1cnc(N2CCSCC2)cn1.
What is the InChIKey of 4-(5-bromopyrazin-2-yl)thiomorpholine?
The InChIKey is AFKKNOAEGDNHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3S/c9-7-5-11-8(6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2.
What are the key properties of 4-(5-bromopyrazin-2-yl)thiomorpholine?
4-(5-bromopyrazin-2-yl)thiomorpholine has a molecular weight of 260.16 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrazin-2-yl)thiomorpholine is sourced from PubChem (CID 59277131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).