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

C5H10FNO2S — CID 105433384

IUPAC2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine
SMILESNCC(F)C1CS(=O)(=O)C1
InChIInChI=1S/C5H10FNO2S/c6-5(1-7)4-2-10(8,9)3-4/h4-5H,1-3,7H2
InChIKeyDSBXDLSJHOKGET-UHFFFAOYSA-N
MW167.20 g/mol
LogP-0.67
Rot. Bonds2

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

2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine (PubChem CID 105433384) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine
PubChem CID105433384
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine
SMILESNCC(F)C1CS(=O)(=O)C1
InChIInChI=1S/C5H10FNO2S/c6-5(1-7)4-2-10(8,9)3-4/h4-5H,1-3,7H2
InChIKeyDSBXDLSJHOKGET-UHFFFAOYSA-N
XLogP-0.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-1lambda6-thietane-1,1-dione
CID 84082942
3-(Aminomethyl)-1lambda6-thietane-1,1-dione hydrochloride
CID 86730691
3-(2-Aminoethyl)-1lambda6-thietane-1,1-dione hydrochloride
CID 75525617
3-(2-Aminoethyl)thietane 1,1-dioxide
CID 75525618
3-[2-(Trifluoromethylsulfonyl)ethyl]azetidine
CID 161794354
3-(2-Fluoroethylsulfonyl)-2-methylpropan-1-amine
CID 81202390
3-(Fluoromethylsulfonyl)propan-1-amine
CID 84650161
4-(Fluoromethylsulfonyl)butan-1-amine
CID 84717333
(4-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765192
[3-(Fluoromethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105433380
[3-(1-Fluoroethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105439413
3-(1,1-Dioxothietan-3-yl)-3-fluoropropan-1-amine
CID 105439417

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine?
The IUPAC name of 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine (CID 105433384) is 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine is NCC(F)C1CS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine?
The InChIKey is DSBXDLSJHOKGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c6-5(1-7)4-2-10(8,9)3-4/h4-5H,1-3,7H2.
What are the key properties of 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine?
2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine has a molecular weight of 167.20 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothietan-3-yl)-2-fluoroethanamine is sourced from PubChem (CID 105433384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).