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

C6H10F3NOS — CID 145167696

IUPAC4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide
SMILESCN1CCS(=O)CC1C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-10-2-3-12(11)4-5(10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyAZBRSABSGDLSKS-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.61
Rot. Bonds

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

4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide (PubChem CID 145167696) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide
PubChem CID145167696
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide
SMILESCN1CCS(=O)CC1C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-10-2-3-12(11)4-5(10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyAZBRSABSGDLSKS-UHFFFAOYSA-N
XLogP0.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-3-(trifluoromethyl)thiomorpholine
CID 145167718
4-Methyl-3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 145167721
4-Propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 166955921
3-Methyl-4-propan-2-yl-5-(trifluoromethyl)thiomorpholine
CID 176871810
3-Methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
CID 66218433
3,3-Dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
CID 126767839
4-(2-Fluoroethyl)-3-methylthiomorpholine
CID 126994484
4-(3-Fluoropropyl)-3-methyl-1,4-thiazinane 1-oxide
CID 126995244
4-(2,2-Difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 127013294
3-Methyl-4-(3,3,3-trifluoropropyl)thiomorpholine
CID 127349536
(1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
CID 129348335
(1R)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
CID 129348336

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide (CID 145167696) is 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide is CN1CCS(=O)CC1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The InChIKey is AZBRSABSGDLSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c1-10-2-3-12(11)4-5(10)6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide?
4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide has a molecular weight of 201.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 145167696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).