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

C6H12FNO2S — CID 130718490

IUPAC4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCF)CC1
InChIInChI=1S/C6H12FNO2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-6H2
InChIKeyKRONCWQNYKKWTL-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.31
Rot. Bonds2

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

4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 130718490) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID130718490
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCF)CC1
InChIInChI=1S/C6H12FNO2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-6H2
InChIKeyKRONCWQNYKKWTL-UHFFFAOYSA-N
XLogP-0.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide (CID 130718490) is 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is KRONCWQNYKKWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-6H2.
What are the key properties of 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide?
4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 181.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 130718490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).