[3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine

C8H16FNO2S — CID 115026486

IUPAC[3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine
SMILESNCC1CCS(=O)(=O)CC1CCF
InChIInChI=1S/C8H16FNO2S/c9-3-1-8-6-13(11,12)4-2-7(8)5-10/h7-8H,1-6,10H2
InChIKeyMWNSWKQNPOLNQP-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.36
Rot. Bonds3

About [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine

[3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine (PubChem CID 115026486) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine
PubChem CID115026486
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name[3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine
SMILESNCC1CCS(=O)(=O)CC1CCF
InChIInChI=1S/C8H16FNO2S/c9-3-1-8-6-13(11,12)4-2-7(8)5-10/h7-8H,1-6,10H2
InChIKeyMWNSWKQNPOLNQP-UHFFFAOYSA-N
XLogP0.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine 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 [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine?
The IUPAC name of [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine (CID 115026486) is [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine.
What is the SMILES notation for [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine?
The canonical SMILES for [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine is NCC1CCS(=O)(=O)CC1CCF.
What is the InChIKey of [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine?
The InChIKey is MWNSWKQNPOLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-3-1-8-6-13(11,12)4-2-7(8)5-10/h7-8H,1-6,10H2.
What are the key properties of [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine?
[3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethyl)-1,1-dioxothian-4-yl]methanamine is sourced from PubChem (CID 115026486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).