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

C5H8F3NO2S — CID 65171550

IUPAC3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)4-3-12(10,11)2-1-9-4/h4,9H,1-3H2
InChIKeyHUOYAODNAUAQDJ-UHFFFAOYSA-N
MW203.18 g/mol
LogP-0.06
Rot. Bonds

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

3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 65171550) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID65171550
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)4-3-12(10,11)2-1-9-4/h4,9H,1-3H2
InChIKeyHUOYAODNAUAQDJ-UHFFFAOYSA-N
XLogP-0.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide (CID 65171550) is 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is HUOYAODNAUAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)4-3-12(10,11)2-1-9-4/h4,9H,1-3H2.
What are the key properties of 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 203.18 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 65171550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).