4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide

C8H16FNO2S — CID 131083113

IUPAC4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(F)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-8(9)2-3-10-4-6-13(11,12)7-5-10/h8H,2-7H2,1H3
InChIKeyGWTOLWMXFNKTLF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.46
Rot. Bonds3

About 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide

4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 131083113) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide
PubChem CID131083113
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(F)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-8(9)2-3-10-4-6-13(11,12)7-5-10/h8H,2-7H2,1H3
InChIKeyGWTOLWMXFNKTLF-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide (CID 131083113) is 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide is CC(F)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is GWTOLWMXFNKTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-8(9)2-3-10-4-6-13(11,12)7-5-10/h8H,2-7H2,1H3.
What are the key properties of 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide?
4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 209.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobutyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 131083113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).