4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide

C7H14FNOS — CID 131154119

IUPAC4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CCN1CCF
InChIInChI=1S/C7H14FNOS/c1-7-6-11(10)5-4-9(7)3-2-8/h7H,2-6H2,1H3
InChIKeyAKEHOWDOXLBDMD-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.41
Rot. Bonds2

About 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide

4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide (PubChem CID 131154119) has the molecular formula C7H14FNOS and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide
PubChem CID131154119
Molecular FormulaC7H14FNOS
Molecular Weight179.26 g/mol
Exact Mass179.08
IUPAC Name4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CCN1CCF
InChIInChI=1S/C7H14FNOS/c1-7-6-11(10)5-4-9(7)3-2-8/h7H,2-6H2,1H3
InChIKeyAKEHOWDOXLBDMD-UHFFFAOYSA-N
XLogP0.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 2806243
4-Methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide
CID 145167696
4-Methyl-3-(trifluoromethyl)thiomorpholine
CID 145167718
4-Methyl-3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 145167721
2,3,4-Trimethyl-1,4-thiazinane 1,1-dioxide
CID 58520634
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
(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
4-(2-Fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
CID 130606431

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide (CID 131154119) is 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide is CC1CS(=O)CCN1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide?
The InChIKey is AKEHOWDOXLBDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNOS/c1-7-6-11(10)5-4-9(7)3-2-8/h7H,2-6H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide?
4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide has a molecular weight of 179.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 131154119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).