2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine

C7H14FNO2S — CID 84773581

IUPAC2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine
SMILESNCCC1CCS(=O)(=O)CC1F
InChIInChI=1S/C7H14FNO2S/c8-7-5-12(10,11)4-2-6(7)1-3-9/h6-7H,1-5,9H2
InChIKeyYCQVKYOJGGBEHS-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds2

About 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine

2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine (PubChem CID 84773581) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine
PubChem CID84773581
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine
SMILESNCCC1CCS(=O)(=O)CC1F
InChIInChI=1S/C7H14FNO2S/c8-7-5-12(10,11)4-2-6(7)1-3-9/h6-7H,1-5,9H2
InChIKeyYCQVKYOJGGBEHS-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 200360
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
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
3-(Aminomethyl)-1lambda6-thiane-1,1-dione
CID 60796760
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
(3-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84022422
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
4-(Fluoromethylsulfonylmethyl)piperidine
CID 84720546
(3-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine?
The IUPAC name of 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine (CID 84773581) is 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine is NCCC1CCS(=O)(=O)CC1F.
What is the InChIKey of 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine?
The InChIKey is YCQVKYOJGGBEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-7-5-12(10,11)4-2-6(7)1-3-9/h6-7H,1-5,9H2.
What are the key properties of 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine?
2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1,1-dioxothian-4-yl)ethanamine is sourced from PubChem (CID 84773581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).