1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine

C5H9N3O3S — CID 69459501

IUPAC1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(N)c1noc(S(C)(=O)=O)n1
InChIInChI=1S/C5H9N3O3S/c1-3(6)4-7-5(11-8-4)12(2,9)10/h3H,6H2,1-2H3
InChIKeyOSOZFBHLGCIYBC-UHFFFAOYSA-N
MW191.21 g/mol
LogP-0.51
Rot. Bonds2

About 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine

1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 69459501) has the molecular formula C5H9N3O3S and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID69459501
Molecular FormulaC5H9N3O3S
Molecular Weight191.21 g/mol
Exact Mass191.04
IUPAC Name1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(N)c1noc(S(C)(=O)=O)n1
InChIInChI=1S/C5H9N3O3S/c1-3(6)4-7-5(11-8-4)12(2,9)10/h3H,6H2,1-2H3
InChIKeyOSOZFBHLGCIYBC-UHFFFAOYSA-N
XLogP-0.51
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 69459501) is 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine is CC(N)c1noc(S(C)(=O)=O)n1.
What is the InChIKey of 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is OSOZFBHLGCIYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3S/c1-3(6)4-7-5(11-8-4)12(2,9)10/h3H,6H2,1-2H3.
What are the key properties of 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine?
1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 191.21 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 69459501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).