1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

C11H17N3O3S — CID 115336055

IUPAC1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(C3CCS(=O)(=O)C3)no2)CCC1
InChIInChI=1S/C11H17N3O3S/c12-11(3-1-4-11)6-9-13-10(14-17-9)8-2-5-18(15,16)7-8/h8H,1-7,12H2
InChIKeyCRQNZIGGRSTVCL-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.40
Rot. Bonds3

About 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (PubChem CID 115336055) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
PubChem CID115336055
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(C3CCS(=O)(=O)C3)no2)CCC1
InChIInChI=1S/C11H17N3O3S/c12-11(3-1-4-11)6-9-13-10(14-17-9)8-2-5-18(15,16)7-8/h8H,1-7,12H2
InChIKeyCRQNZIGGRSTVCL-UHFFFAOYSA-N
XLogP0.40
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (CID 115336055) is 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is NC1(Cc2nc(C3CCS(=O)(=O)C3)no2)CCC1.
What is the InChIKey of 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The InChIKey is CRQNZIGGRSTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-11(3-1-4-11)6-9-13-10(14-17-9)8-2-5-18(15,16)7-8/h8H,1-7,12H2.
What are the key properties of 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine has a molecular weight of 271.34 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115336055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).