4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide

C8H16FNO2S — CID 130905954

IUPAC4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(C)S(=O)(=O)CCN1CCF
InChIInChI=1S/C8H16FNO2S/c1-7-8(2)13(11,12)6-5-10(7)4-3-9/h7-8H,3-6H2,1-2H3
InChIKeyGILPGAYBUODUCV-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.46
Rot. Bonds2

About 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide

4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 130905954) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID130905954
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1C(C)S(=O)(=O)CCN1CCF
InChIInChI=1S/C8H16FNO2S/c1-7-8(2)13(11,12)6-5-10(7)4-3-9/h7-8H,3-6H2,1-2H3
InChIKeyGILPGAYBUODUCV-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 2806243
3-Methyl-4-(prop-2-yn-1-yl)-1lambda6-thiomorpholine-1,1-dione
CID 103684411
4-Butylthiomorpholine-1,1-dioxide
CID 10987084
4-(Cyclopropylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71916738
4-Ethylsulfonyl-1-(2-fluoroethyl)piperidine
CID 123535747
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
1,2-Dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269182
2,3,4-Trimethyl-1,4-thiazinane 1,1-dioxide
CID 58520634
4-[(But-2-yn-1-yl)(methyl)amino]-1lambda6-thiane-1,1-dione
CID 91643804
4-(3-Fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 126770100
4-(3-Fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 126779091

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide (CID 130905954) is 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide is CC1C(C)S(=O)(=O)CCN1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is GILPGAYBUODUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7-8(2)13(11,12)6-5-10(7)4-3-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide?
4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 209.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 130905954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).