2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine

C8H16FNO2S — CID 84780768

IUPAC2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine
SMILESNCCC1CCS(=O)(=O)CCC1F
InChIInChI=1S/C8H16FNO2S/c9-8-3-6-13(11,12)5-2-7(8)1-4-10/h7-8H,1-6,10H2
InChIKeyRRICTAORYACQEC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.50
Rot. Bonds2

About 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine

2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine (PubChem CID 84780768) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine
PubChem CID84780768
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine
SMILESNCCC1CCS(=O)(=O)CCC1F
InChIInChI=1S/C8H16FNO2S/c9-8-3-6-13(11,12)5-2-7(8)1-4-10/h7-8H,1-6,10H2
InChIKeyRRICTAORYACQEC-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
3-(Cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
CID 64697882
[3-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722921
[4-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722922
2-(5-Fluorothiepan-4-yl)ethanamine
CID 84767505
2-(4-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 84773582
3-(4-Fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
CID 105449125
3-(3-Amino-1-fluoropropyl)-1lambda6-thiolane-1,1-dione
CID 105449129
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-amine
CID 105449130
2-(1,1-Dioxothian-3-yl)-2-fluoroethanamine
CID 105449132
2-(3-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 105449136
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-amine
CID 105463169

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine (CID 84780768) is 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine is NCCC1CCS(=O)(=O)CCC1F.
What is the InChIKey of 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine?
The InChIKey is RRICTAORYACQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-8-3-6-13(11,12)5-2-7(8)1-4-10/h7-8H,1-6,10H2.
What are the key properties of 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine?
2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,1-dioxothiepan-4-yl)ethanamine is sourced from PubChem (CID 84780768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).