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

C10H17N3O3S — CID 112735076

IUPAC2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(c1noc(C(N)CC2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-6(17(2,14)15)9-12-10(16-13-9)8(11)5-7-3-4-7/h6-8H,3-5,11H2,1-2H3
InChIKeyGDBHRXXASKQERG-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.98
Rot. Bonds5

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

2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 112735076) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID112735076
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(c1noc(C(N)CC2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-6(17(2,14)15)9-12-10(16-13-9)8(11)5-7-3-4-7/h6-8H,3-5,11H2,1-2H3
InChIKeyGDBHRXXASKQERG-UHFFFAOYSA-N
XLogP0.98
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-3-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904314
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 82413784
2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 83290514
4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116632620
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483639
(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine
CID 114264506
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104521895
ethyl 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116632875

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 112735076) is 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(c1noc(C(N)CC2CC2)n1)S(C)(=O)=O.
What is the InChIKey of 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is GDBHRXXASKQERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-6(17(2,14)15)9-12-10(16-13-9)8(11)5-7-3-4-7/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 259.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 112735076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).