4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide

C8H10FN3O2S — CID 164657204

IUPAC4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nccnc2F)CC1
InChIInChI=1S/C8H10FN3O2S/c9-7-8(11-2-1-10-7)12-3-5-15(13,14)6-4-12/h1-2H,3-6H2
InChIKeyWBRKIQXJHQYODJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.15
Rot. Bonds1

About 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide

4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 164657204) has the molecular formula C8H10FN3O2S and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID164657204
Molecular FormulaC8H10FN3O2S
Molecular Weight231.25 g/mol
Exact Mass231.05
IUPAC Name4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nccnc2F)CC1
InChIInChI=1S/C8H10FN3O2S/c9-7-8(11-2-1-10-7)12-3-5-15(13,14)6-4-12/h1-2H,3-6H2
InChIKeyWBRKIQXJHQYODJ-UHFFFAOYSA-N
XLogP-0.15
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide (CID 164657204) is 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nccnc2F)CC1.
What is the InChIKey of 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WBRKIQXJHQYODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2S/c9-7-8(11-2-1-10-7)12-3-5-15(13,14)6-4-12/h1-2H,3-6H2.
What are the key properties of 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 231.25 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropyrazin-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 164657204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).