N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine

C12H15N3O3S — CID 62162688

IUPACN-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C12H15N3O3S/c1-8(13-2)11-14-15-12(18-11)9-5-4-6-10(7-9)19(3,16)17/h4-8,13H,1-3H3
InChIKeyFYEVKTZPVZHAKP-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine

N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62162688) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62162688
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C12H15N3O3S/c1-8(13-2)11-14-15-12(18-11)9-5-4-6-10(7-9)19(3,16)17/h4-8,13H,1-3H3
InChIKeyFYEVKTZPVZHAKP-UHFFFAOYSA-N
XLogP1.42
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62162688) is N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)o1.
What is the InChIKey of N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is FYEVKTZPVZHAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8(13-2)11-14-15-12(18-11)9-5-4-6-10(7-9)19(3,16)17/h4-8,13H,1-3H3.
What are the key properties of N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 281.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62162688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).