3-(trifluoromethyl)-1,4-thiazinane 1-oxide

C5H8F3NOS — CID 65171499

IUPAC3-(trifluoromethyl)-1,4-thiazinane 1-oxide
SMILESO=S1CCNC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NOS/c6-5(7,8)4-3-11(10)2-1-9-4/h4,9H,1-3H2
InChIKeyRYAJHTWGQZGBAQ-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.27
Rot. Bonds

About 3-(trifluoromethyl)-1,4-thiazinane 1-oxide

3-(trifluoromethyl)-1,4-thiazinane 1-oxide (PubChem CID 65171499) has the molecular formula C5H8F3NOS and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4-thiazinane 1-oxide
PubChem CID65171499
Molecular FormulaC5H8F3NOS
Molecular Weight187.19 g/mol
Exact Mass187.03
IUPAC Name3-(trifluoromethyl)-1,4-thiazinane 1-oxide
SMILESO=S1CCNC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NOS/c6-5(7,8)4-3-11(10)2-1-9-4/h4,9H,1-3H2
InChIKeyRYAJHTWGQZGBAQ-UHFFFAOYSA-N
XLogP0.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(trifluoromethyl)-1,4-thiazinane 1-oxide (CID 65171499) is 3-(trifluoromethyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(trifluoromethyl)-1,4-thiazinane 1-oxide is O=S1CCNC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The InChIKey is RYAJHTWGQZGBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NOS/c6-5(7,8)4-3-11(10)2-1-9-4/h4,9H,1-3H2.
What are the key properties of 3-(trifluoromethyl)-1,4-thiazinane 1-oxide?
3-(trifluoromethyl)-1,4-thiazinane 1-oxide has a molecular weight of 187.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 65171499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).