2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C8H15N3O3S — CID 83290514

IUPAC2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc(C(N)CS(C)(=O)=O)n1
InChIInChI=1S/C8H15N3O3S/c1-5(2)7-10-8(14-11-7)6(9)4-15(3,12)13/h5-6H,4,9H2,1-3H3
InChIKeyQFTRJZKTVKBDMX-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.24
Rot. Bonds4

About 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 83290514) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID83290514
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc(C(N)CS(C)(=O)=O)n1
InChIInChI=1S/C8H15N3O3S/c1-5(2)7-10-8(14-11-7)6(9)4-15(3,12)13/h5-6H,4,9H2,1-3H3
InChIKeyQFTRJZKTVKBDMX-UHFFFAOYSA-N
XLogP0.24
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 83290514) is 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(C)c1noc(C(N)CS(C)(=O)=O)n1.
What is the InChIKey of 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is QFTRJZKTVKBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-5(2)7-10-8(14-11-7)6(9)4-15(3,12)13/h5-6H,4,9H2,1-3H3.
What are the key properties of 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 83290514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).