[3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine

C6H12FNO2S — CID 105439413

IUPAC[3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine
SMILESCC(F)C1(CN)CS(=O)(=O)C1
InChIInChI=1S/C6H12FNO2S/c1-5(7)6(2-8)3-11(9,10)4-6/h5H,2-4,8H2,1H3
InChIKeyRNYDETGAFDAZMF-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.28
Rot. Bonds2

About [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine

[3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine (PubChem CID 105439413) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine
PubChem CID105439413
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name[3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine
SMILESCC(F)C1(CN)CS(=O)(=O)C1
InChIInChI=1S/C6H12FNO2S/c1-5(7)6(2-8)3-11(9,10)4-6/h5H,2-4,8H2,1H3
InChIKeyRNYDETGAFDAZMF-UHFFFAOYSA-N
XLogP-0.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine 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

[3-(Fluoromethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 84768420
[3-(Fluoromethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105433380
2-(1,1-Dioxothietan-3-yl)-2-fluoroethanamine
CID 105433384
[3-(Difluoromethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105441485
2-(1,1-Dioxothietan-3-yl)-2,2-difluoroethanamine
CID 105441490
[3-(2-Fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine
CID 105449126
[3-(1,1-Difluoroethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105452017
[1,1-Dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine
CID 105454986
4-Ethylsulfonyl-2-fluoro-2-methylbutan-1-amine
CID 106735927
2-Fluoro-2-methyl-4-methylsulfonylbutan-1-amine
CID 112565037
[3,3-Difluoro-1-(methanesulfonylmethyl)cyclobutyl]methanamine
CID 165634708
4-Methanesulfonyl-2,2-dimethylbutan-1-amine
CID 53621874

Frequently Asked Questions

What is the IUPAC name of [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine?
The IUPAC name of [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine (CID 105439413) is [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine.
What is the SMILES notation for [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine?
The canonical SMILES for [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine is CC(F)C1(CN)CS(=O)(=O)C1.
What is the InChIKey of [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine?
The InChIKey is RNYDETGAFDAZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-5(7)6(2-8)3-11(9,10)4-6/h5H,2-4,8H2,1H3.
What are the key properties of [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine?
[3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine has a molecular weight of 181.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-fluoroethyl)-1,1-dioxothietan-3-yl]methanamine is sourced from PubChem (CID 105439413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).