3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

C9H17N3O2S — CID 103157724

IUPAC3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
SMILESCCSCc1noc(CC(CN)OC)n1
InChIInChI=1S/C9H17N3O2S/c1-3-15-6-8-11-9(14-12-8)4-7(5-10)13-2/h7H,3-6,10H2,1-2H3
InChIKeyFLTADZFARQJYGA-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.84
Rot. Bonds7

About 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine (PubChem CID 103157724) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
PubChem CID103157724
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
SMILESCCSCc1noc(CC(CN)OC)n1
InChIInChI=1S/C9H17N3O2S/c1-3-15-6-8-11-9(14-12-8)4-7(5-10)13-2/h7H,3-6,10H2,1-2H3
InChIKeyFLTADZFARQJYGA-UHFFFAOYSA-N
XLogP0.84
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157726
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072564
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157784
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 65129726
[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65129843
4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 103157533
4-[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503178
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249524
2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157921
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65222089
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylethanamine
CID 65130327
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methoxypropan-1-amine
CID 103157717

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The IUPAC name of 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine (CID 103157724) is 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine.
What is the SMILES notation for 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The canonical SMILES for 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine is CCSCc1noc(CC(CN)OC)n1.
What is the InChIKey of 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The InChIKey is FLTADZFARQJYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-15-6-8-11-9(14-12-8)4-7(5-10)13-2/h7H,3-6,10H2,1-2H3.
What are the key properties of 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine has a molecular weight of 231.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine is sourced from PubChem (CID 103157724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).