3-(2-fluoropropyl)-1,1-dioxothian-4-amine

C8H16FNO2S — CID 115026485

IUPAC3-(2-fluoropropyl)-1,1-dioxothian-4-amine
SMILESCC(F)CC1CS(=O)(=O)CCC1N
InChIInChI=1S/C8H16FNO2S/c1-6(9)4-7-5-13(11,12)3-2-8(7)10/h6-8H,2-5,10H2,1H3
InChIKeyQIEIYDJRUIUCGN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.50
Rot. Bonds2

About 3-(2-fluoropropyl)-1,1-dioxothian-4-amine

3-(2-fluoropropyl)-1,1-dioxothian-4-amine (PubChem CID 115026485) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-fluoropropyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name3-(2-fluoropropyl)-1,1-dioxothian-4-amine
PubChem CID115026485
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-(2-fluoropropyl)-1,1-dioxothian-4-amine
SMILESCC(F)CC1CS(=O)(=O)CCC1N
InChIInChI=1S/C8H16FNO2S/c1-6(9)4-7-5-13(11,12)3-2-8(7)10/h6-8H,2-5,10H2,1H3
InChIKeyQIEIYDJRUIUCGN-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropyl)-1,1-dioxothian-4-amine?
The IUPAC name of 3-(2-fluoropropyl)-1,1-dioxothian-4-amine (CID 115026485) is 3-(2-fluoropropyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for 3-(2-fluoropropyl)-1,1-dioxothian-4-amine?
The canonical SMILES for 3-(2-fluoropropyl)-1,1-dioxothian-4-amine is CC(F)CC1CS(=O)(=O)CCC1N.
What is the InChIKey of 3-(2-fluoropropyl)-1,1-dioxothian-4-amine?
The InChIKey is QIEIYDJRUIUCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-6(9)4-7-5-13(11,12)3-2-8(7)10/h6-8H,2-5,10H2,1H3.
What are the key properties of 3-(2-fluoropropyl)-1,1-dioxothian-4-amine?
3-(2-fluoropropyl)-1,1-dioxothian-4-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 3-(2-fluoropropyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 115026485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).