1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C8H15N3O3S — CID 62472893

IUPAC1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C8H15N3O3S/c1-3-4-6(9)8-10-7(11-14-8)5-15(2,12)13/h6H,3-5,9H2,1-2H3
InChIKeyJEDJJTSKVBIULQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.41
Rot. Bonds5

About 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 62472893) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID62472893
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C8H15N3O3S/c1-3-4-6(9)8-10-7(11-14-8)5-15(2,12)13/h6H,3-5,9H2,1-2H3
InChIKeyJEDJJTSKVBIULQ-UHFFFAOYSA-N
XLogP0.41
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 94451312
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352639
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107565558
4-[(2S)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905697
(1S)-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565256
N-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62473448
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115345334
ethyl 4-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475476
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 62472893) is 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCCC(N)c1nc(CS(C)(=O)=O)no1.
What is the InChIKey of 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is JEDJJTSKVBIULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-3-4-6(9)8-10-7(11-14-8)5-15(2,12)13/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 233.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 62472893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).