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

C8H16FNO2S — CID 130612831

IUPAC4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1(C)CS(=O)(=O)CCN1CCF
InChIInChI=1S/C8H16FNO2S/c1-8(2)7-13(11,12)6-5-10(8)4-3-9/h3-7H2,1-2H3
InChIKeyNQKCJZOWCXUSHN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.46
Rot. Bonds2

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

4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 130612831) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID130612831
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCC1(C)CS(=O)(=O)CCN1CCF
InChIInChI=1S/C8H16FNO2S/c1-8(2)7-13(11,12)6-5-10(8)4-3-9/h3-7H2,1-2H3
InChIKeyNQKCJZOWCXUSHN-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide (CID 130612831) is 4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide is CC1(C)CS(=O)(=O)CCN1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is NQKCJZOWCXUSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-8(2)7-13(11,12)6-5-10(8)4-3-9/h3-7H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide?
4-(2-fluoroethyl)-3,3-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)-3,3-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 130612831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).