4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide

C9H10F3N3O2S — CID 51108743

IUPAC4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)7-1-2-13-8(14-7)15-3-5-18(16,17)6-4-15/h1-2H,3-6H2
InChIKeyIZRFPGVTSXLHBO-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.73
Rot. Bonds1

About 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide

4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 51108743) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID51108743
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC Name4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)7-1-2-13-8(14-7)15-3-5-18(16,17)6-4-15/h1-2H,3-6H2
InChIKeyIZRFPGVTSXLHBO-UHFFFAOYSA-N
XLogP0.73
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide (CID 51108743) is 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is IZRFPGVTSXLHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c10-9(11,12)7-1-2-13-8(14-7)15-3-5-18(16,17)6-4-15/h1-2H,3-6H2.
What are the key properties of 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide?
4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 281.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 51108743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).