2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine

C8H16FNO2S — CID 105463188

IUPAC2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine
SMILESCC(CN)C1(F)CCCS(=O)(=O)C1
InChIInChI=1S/C8H16FNO2S/c1-7(5-10)8(9)3-2-4-13(11,12)6-8/h7H,2-6,10H2,1H3
InChIKeyBFRVSONBPASUJH-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine

2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine (PubChem CID 105463188) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine
PubChem CID105463188
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine
SMILESCC(CN)C1(F)CCCS(=O)(=O)C1
InChIInChI=1S/C8H16FNO2S/c1-7(5-10)8(9)3-2-4-13(11,12)6-8/h7H,2-6,10H2,1H3
InChIKeyBFRVSONBPASUJH-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

1-(Aminomethyl)-6lambda6-thiaspiro[2.5]octane-6,6-dione hydrochloride
CID 145909097
1-(Aminomethyl)-6-thiaspiro[2.5]octane 6,6-dioxide
CID 62708709
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
[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
2-(3-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84773581
2-(4-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 84773582
2-(5-Fluoro-1,1-dioxothiepan-4-yl)ethanamine
CID 84780768

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine?
The IUPAC name of 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine (CID 105463188) is 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine?
The canonical SMILES for 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine is CC(CN)C1(F)CCCS(=O)(=O)C1.
What is the InChIKey of 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine?
The InChIKey is BFRVSONBPASUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(5-10)8(9)3-2-4-13(11,12)6-8/h7H,2-6,10H2,1H3.
What are the key properties of 2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine?
2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine 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-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine is sourced from PubChem (CID 105463188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).