4-(2-ethylsulfonylethyl)-4-fluoroazepane

C10H20FNO2S — CID 106735966

IUPAC4-(2-ethylsulfonylethyl)-4-fluoroazepane
SMILESCCS(=O)(=O)CCC1(F)CCCNCC1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)9-6-10(11)4-3-7-12-8-5-10/h12H,2-9H2,1H3
InChIKeyVEHXXCXJGGHRQV-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.29
Rot. Bonds4

About 4-(2-ethylsulfonylethyl)-4-fluoroazepane

4-(2-ethylsulfonylethyl)-4-fluoroazepane (PubChem CID 106735966) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(2-ethylsulfonylethyl)-4-fluoroazepane.

Molecular Properties

Compound Name4-(2-ethylsulfonylethyl)-4-fluoroazepane
PubChem CID106735966
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name4-(2-ethylsulfonylethyl)-4-fluoroazepane
SMILESCCS(=O)(=O)CCC1(F)CCCNCC1
InChIInChI=1S/C10H20FNO2S/c1-2-15(13,14)9-6-10(11)4-3-7-12-8-5-10/h12H,2-9H2,1H3
InChIKeyVEHXXCXJGGHRQV-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethylsulfonylethyl)-4-fluoroazepane 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-(2-ethylsulfonylethyl)-4-fluoroazepane?
The IUPAC name of 4-(2-ethylsulfonylethyl)-4-fluoroazepane (CID 106735966) is 4-(2-ethylsulfonylethyl)-4-fluoroazepane.
What is the SMILES notation for 4-(2-ethylsulfonylethyl)-4-fluoroazepane?
The canonical SMILES for 4-(2-ethylsulfonylethyl)-4-fluoroazepane is CCS(=O)(=O)CCC1(F)CCCNCC1.
What is the InChIKey of 4-(2-ethylsulfonylethyl)-4-fluoroazepane?
The InChIKey is VEHXXCXJGGHRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-2-15(13,14)9-6-10(11)4-3-7-12-8-5-10/h12H,2-9H2,1H3.
What are the key properties of 4-(2-ethylsulfonylethyl)-4-fluoroazepane?
4-(2-ethylsulfonylethyl)-4-fluoroazepane has a molecular weight of 237.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfonylethyl)-4-fluoroazepane is sourced from PubChem (CID 106735966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).