N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine

C8H15N3O3S — CID 62595950

IUPACN-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)(C)Nc1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C8H15N3O3S/c1-8(2,3)10-7-9-6(11-14-7)5-15(4,12)13/h5H2,1-4H3,(H,9,10,11)
InChIKeyYQGISJCOQQGFFM-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.82
Rot. Bonds3

About N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine

N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595950) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595950
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)(C)Nc1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C8H15N3O3S/c1-8(2,3)10-7-9-6(11-14-7)5-15(4,12)13/h5H2,1-4H3,(H,9,10,11)
InChIKeyYQGISJCOQQGFFM-UHFFFAOYSA-N
XLogP0.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine (CID 62595950) is N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine is CC(C)(C)Nc1nc(CS(C)(=O)=O)no1.
What is the InChIKey of N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is YQGISJCOQQGFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-8(2,3)10-7-9-6(11-14-7)5-15(4,12)13/h5H2,1-4H3,(H,9,10,11).
What are the key properties of N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine?
N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 233.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).