4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide

C8H9BrClN3O2S — CID 58851973

IUPAC4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2cnc(Br)c(Cl)n2)CC1
InChIInChI=1S/C8H9BrClN3O2S/c9-7-8(10)12-6(5-11-7)13-1-3-16(14,15)4-2-13/h5H,1-4H2
InChIKeyBUEZPPXYMJYCLD-UHFFFAOYSA-N
MW326.60 g/mol
LogP1.13
Rot. Bonds1

About 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide

4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 58851973) has the molecular formula C8H9BrClN3O2S and a molecular weight of 326.60 g/mol. Its IUPAC name is 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID58851973
Molecular FormulaC8H9BrClN3O2S
Molecular Weight326.60 g/mol
Exact Mass324.93
IUPAC Name4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2cnc(Br)c(Cl)n2)CC1
InChIInChI=1S/C8H9BrClN3O2S/c9-7-8(10)12-6(5-11-7)13-1-3-16(14,15)4-2-13/h5H,1-4H2
InChIKeyBUEZPPXYMJYCLD-UHFFFAOYSA-N
XLogP1.13
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.60
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide (CID 58851973) is 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2cnc(Br)c(Cl)n2)CC1.
What is the InChIKey of 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is BUEZPPXYMJYCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O2S/c9-7-8(10)12-6(5-11-7)13-1-3-16(14,15)4-2-13/h5H,1-4H2.
What are the key properties of 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 326.60 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-chloropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58851973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).