2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine

C7H14FNO2S — CID 105449133

IUPAC2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine
SMILESCNCC(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-9-4-7(8)6-2-3-12(10,11)5-6/h6-7,9H,2-5H2,1H3
InChIKeyDLKNJEPOFWLXJS-UHFFFAOYSA-N
MW195.26 g/mol
LogP-0.02
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine

2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine (PubChem CID 105449133) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine
PubChem CID105449133
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine
SMILESCNCC(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-9-4-7(8)6-2-3-12(10,11)5-6/h6-7,9H,2-5H2,1H3
InChIKeyDLKNJEPOFWLXJS-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine 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 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine (CID 105449133) is 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine is CNCC(F)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine?
The InChIKey is DLKNJEPOFWLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-9-4-7(8)6-2-3-12(10,11)5-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine?
2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine has a molecular weight of 195.26 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylethanamine is sourced from PubChem (CID 105449133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).