N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine

C8H9FN2O2S — CID 130949037

IUPACN-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine
SMILESO=S1(=O)CC(Nc2ncccc2F)C1
InChIInChI=1S/C8H9FN2O2S/c9-7-2-1-3-10-8(7)11-6-4-14(12,13)5-6/h1-3,6H,4-5H2,(H,10,11)
InChIKeyWDHBEOHPZDKUEO-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.43
Rot. Bonds2

About N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine

N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine (PubChem CID 130949037) has the molecular formula C8H9FN2O2S and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine
PubChem CID130949037
Molecular FormulaC8H9FN2O2S
Molecular Weight216.24 g/mol
Exact Mass216.04
IUPAC NameN-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine
SMILESO=S1(=O)CC(Nc2ncccc2F)C1
InChIInChI=1S/C8H9FN2O2S/c9-7-2-1-3-10-8(7)11-6-4-14(12,13)5-6/h1-3,6H,4-5H2,(H,10,11)
InChIKeyWDHBEOHPZDKUEO-UHFFFAOYSA-N
XLogP0.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine?
The IUPAC name of N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine (CID 130949037) is N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine is O=S1(=O)CC(Nc2ncccc2F)C1.
What is the InChIKey of N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine?
The InChIKey is WDHBEOHPZDKUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2S/c9-7-2-1-3-10-8(7)11-6-4-14(12,13)5-6/h1-3,6H,4-5H2,(H,10,11).
What are the key properties of N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine?
N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine has a molecular weight of 216.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 130949037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).