2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine

C7H14FNO2S — CID 84666245

IUPAC2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine
SMILESNCCC1(F)CCS(=O)(=O)CC1
InChIInChI=1S/C7H14FNO2S/c8-7(1-4-9)2-5-12(10,11)6-3-7/h1-6,9H2
InChIKeyVHQZBDFYVJAIFJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.25
Rot. Bonds2

About 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine

2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine (PubChem CID 84666245) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine
PubChem CID84666245
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine
SMILESNCCC1(F)CCS(=O)(=O)CC1
InChIInChI=1S/C7H14FNO2S/c8-7(1-4-9)2-5-12(10,11)6-3-7/h1-6,9H2
InChIKeyVHQZBDFYVJAIFJ-UHFFFAOYSA-N
XLogP0.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanamine hydrochloride
CID 47000751
4-(Aminomethyl)-1lambda~6~-thiane-1,1-dione
CID 47000752
3-(Aminomethyl)-1lambda6-thiane-1,1-dione hydrochloride
CID 84669194
3-(Aminomethyl)-1lambda6-thiane-1,1-dione
CID 60796760
2-(Aminomethyl)-1lambda6-thiane-1,1-dione
CID 71756112
(3-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84022422
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
5-(Fluoromethylsulfonyl)pentan-1-amine
CID 84718786
(3-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421
(4-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84768422
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84768423
2-(3-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84773581

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine (CID 84666245) is 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine is NCCC1(F)CCS(=O)(=O)CC1.
What is the InChIKey of 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine?
The InChIKey is VHQZBDFYVJAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-7(1-4-9)2-5-12(10,11)6-3-7/h1-6,9H2.
What are the key properties of 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine?
2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine has a molecular weight of 195.26 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,1-dioxothian-4-yl)ethanamine is sourced from PubChem (CID 84666245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).