2-(1,1-dioxothian-3-yl)-2-fluoroethanamine

C7H14FNO2S — CID 105449132

IUPAC2-(1,1-dioxothian-3-yl)-2-fluoroethanamine
SMILESNCC(F)C1CCCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c8-7(4-9)6-2-1-3-12(10,11)5-6/h6-7H,1-5,9H2
InChIKeyMPIORJGLAKAJBW-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds2

About 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine

2-(1,1-dioxothian-3-yl)-2-fluoroethanamine (PubChem CID 105449132) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothian-3-yl)-2-fluoroethanamine
PubChem CID105449132
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-(1,1-dioxothian-3-yl)-2-fluoroethanamine
SMILESNCC(F)C1CCCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c8-7(4-9)6-2-1-3-12(10,11)5-6/h6-7H,1-5,9H2
InChIKeyMPIORJGLAKAJBW-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

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
(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
[3-(Fluoromethylsulfonyl)cyclopentyl]methanamine
CID 84720541
[3-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722921
[4-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722922
(3-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421
(4-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84768422

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine?
The IUPAC name of 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine (CID 105449132) is 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine is NCC(F)C1CCCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine?
The InChIKey is MPIORJGLAKAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-7(4-9)6-2-1-3-12(10,11)5-6/h6-7H,1-5,9H2.
What are the key properties of 2-(1,1-dioxothian-3-yl)-2-fluoroethanamine?
2-(1,1-dioxothian-3-yl)-2-fluoroethanamine 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-(1,1-dioxothian-3-yl)-2-fluoroethanamine is sourced from PubChem (CID 105449132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).