3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide

C6H10F3NO2S — CID 66219172

IUPAC3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(C(F)(F)F)N1
InChIInChI=1S/C6H10F3NO2S/c1-4-2-13(11,12)3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyZBDJJDQLSWJZCV-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.32
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide

3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 66219172) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID66219172
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(C(F)(F)F)N1
InChIInChI=1S/C6H10F3NO2S/c1-4-2-13(11,12)3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyZBDJJDQLSWJZCV-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiomorpholinium trifluoromethanesulfonate
CID 129746437
3,3-Dimethylthiomorpholine 1,1-dioxide
CID 21751983
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CID 75525602
(3R)-3-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137935491
(3S)-3-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137957889
Thiomorpholine, 3-methyl-, 1,1-dioxide
CID 14953855
1-(2,2,2-Trifluoroethylsulfonyl)propan-2-amine
CID 81190027
4-(3,3,3-Trifluoropropylsulfonyl)butan-2-amine
CID 81194635
N-methyl-3-[(3,3,3-trifluoropropyl)sulphonyl]propane-1-amine
CID 86696859
(2R)-1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine
CID 130236595
4-Methyl-3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 145167721
N-[3-(3,3,3-trifluoropropylsulfonyl)propyl]butan-2-amine
CID 151107941

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide (CID 66219172) is 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CC(C(F)(F)F)N1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZBDJJDQLSWJZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-4-2-13(11,12)3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 217.21 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66219172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).