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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Related Compounds

(r)-2-amino-N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)propanamide
CID 132279660
N-Methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 594695
Methyl((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)amine hydrochloride
CID 44118451
[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl][(thiophen-2-yl)methyl]amine
CID 1091728
N-isopropyl-2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 72193547
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 2427898
(3S)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 97585792
(1S)-N-ethyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfonylethyl)ethanamine
CID 97605630
N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 13409698
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylbenzenesulfonamide
CID 13409699
2-Phenyl-5-(2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl)-1,3,4-oxadiazole
CID 134842486
4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 17462518

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).