1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C9H16N4O3S2 — CID 106962734

IUPAC1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(N2CCSCC2S(C)(=O)=O)o1
InChIInChI=1S/C9H16N4O3S2/c1-6(10)8-11-12-9(16-8)13-3-4-17-5-7(13)18(2,14)15/h6-7H,3-5,10H2,1-2H3
InChIKeyXWNSZTKQOHJWNY-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.01
Rot. Bonds3

About 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine

1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106962734) has the molecular formula C9H16N4O3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106962734
Molecular FormulaC9H16N4O3S2
Molecular Weight292.39 g/mol
Exact Mass292.07
IUPAC Name1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(N2CCSCC2S(C)(=O)=O)o1
InChIInChI=1S/C9H16N4O3S2/c1-6(10)8-11-12-9(16-8)13-3-4-17-5-7(13)18(2,14)15/h6-7H,3-5,10H2,1-2H3
InChIKeyXWNSZTKQOHJWNY-UHFFFAOYSA-N
XLogP0.01
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106962734) is 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(N2CCSCC2S(C)(=O)=O)o1.
What is the InChIKey of 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is XWNSZTKQOHJWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S2/c1-6(10)8-11-12-9(16-8)13-3-4-17-5-7(13)18(2,14)15/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 292.39 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106962734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).