3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine

C10H17N3O3S — CID 63166082

IUPAC3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine
SMILESCC(C)(C)c1nc(C2(N)CCS(=O)(=O)C2)no1
InChIInChI=1S/C10H17N3O3S/c1-9(2,3)8-12-7(13-16-8)10(11)4-5-17(14,15)6-10/h4-6,11H2,1-3H3
InChIKeyFZBDYKFZEGVHPB-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.34
Rot. Bonds1

About 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine (PubChem CID 63166082) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine
PubChem CID63166082
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine
SMILESCC(C)(C)c1nc(C2(N)CCS(=O)(=O)C2)no1
InChIInChI=1S/C10H17N3O3S/c1-9(2,3)8-12-7(13-16-8)10(11)4-5-17(14,15)6-10/h4-6,11H2,1-3H3
InChIKeyFZBDYKFZEGVHPB-UHFFFAOYSA-N
XLogP0.34
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine 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 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine (CID 63166082) is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine is CC(C)(C)c1nc(C2(N)CCS(=O)(=O)C2)no1.
What is the InChIKey of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is FZBDYKFZEGVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-9(2,3)8-12-7(13-16-8)10(11)4-5-17(14,15)6-10/h4-6,11H2,1-3H3.
What are the key properties of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine?
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 259.33 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63166082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).