4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide

C10H17N3O3S — CID 72844159

IUPAC4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1nnc(N2CCS(=O)(=O)CC2)o1
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)8-11-12-9(16-8)13-4-6-17(14,15)7-5-13/h4-7H2,1-3H3
InChIKeyPAPIDRFKHVJAEZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.60
Rot. Bonds1

About 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide

4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 72844159) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID72844159
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1nnc(N2CCS(=O)(=O)CC2)o1
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)8-11-12-9(16-8)13-4-6-17(14,15)7-5-13/h4-7H2,1-3H3
InChIKeyPAPIDRFKHVJAEZ-UHFFFAOYSA-N
XLogP0.60
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide (CID 72844159) is 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide is CC(C)(C)c1nnc(N2CCS(=O)(=O)CC2)o1.
What is the InChIKey of 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is PAPIDRFKHVJAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2,3)8-11-12-9(16-8)13-4-6-17(14,15)7-5-13/h4-7H2,1-3H3.
What are the key properties of 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 259.33 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 72844159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).