2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide

C7H13FN2O2S — CID 130594826

IUPAC2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide
SMILESCS(C)(=O)=NC(=O)C(F)C1CNC1
InChIInChI=1S/C7H13FN2O2S/c1-13(2,12)10-7(11)6(8)5-3-9-4-5/h5-6,9H,3-4H2,1-2H3
InChIKeyYHBYSOWRYZAXAG-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.20
Rot. Bonds2

About 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide

2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide (PubChem CID 130594826) has the molecular formula C7H13FN2O2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide
PubChem CID130594826
Molecular FormulaC7H13FN2O2S
Molecular Weight208.26 g/mol
Exact Mass208.07
IUPAC Name2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide
SMILESCS(C)(=O)=NC(=O)C(F)C1CNC1
InChIInChI=1S/C7H13FN2O2S/c1-13(2,12)10-7(11)6(8)5-3-9-4-5/h5-6,9H,3-4H2,1-2H3
InChIKeyYHBYSOWRYZAXAG-UHFFFAOYSA-N
XLogP-0.20
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide (CID 130594826) is 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide is CS(C)(=O)=NC(=O)C(F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide?
The InChIKey is YHBYSOWRYZAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2S/c1-13(2,12)10-7(11)6(8)5-3-9-4-5/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide?
2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide has a molecular weight of 208.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[dimethyl(oxo)-λ6-sulfanylidene]-2-fluoroacetamide is sourced from PubChem (CID 130594826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).