(5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane

C11H22N2OS2 — CID 170371460

IUPAC(5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane
SMILESCSCCS(C)(C)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C11H22N2OS2/c1-11(2,3)9-12-13-10(14-9)16(5,6)8-7-15-4/h7-8H2,1-6H3
InChIKeyGDDUXRWVDGVEHQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.15
Rot. Bonds4

About (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane

(5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane (PubChem CID 170371460) has the molecular formula C11H22N2OS2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane.

Molecular Properties

Compound Name(5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane
PubChem CID170371460
Molecular FormulaC11H22N2OS2
Molecular Weight262.44 g/mol
Exact Mass262.12
IUPAC Name(5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane
SMILESCSCCS(C)(C)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C11H22N2OS2/c1-11(2,3)9-12-13-10(14-9)16(5,6)8-7-15-4/h7-8H2,1-6H3
InChIKeyGDDUXRWVDGVEHQ-UHFFFAOYSA-N
XLogP3.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane?
The IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane (CID 170371460) is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane.
What is the SMILES notation for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane?
The canonical SMILES for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane is CSCCS(C)(C)c1nnc(C(C)(C)C)o1.
What is the InChIKey of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane?
The InChIKey is GDDUXRWVDGVEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS2/c1-11(2,3)9-12-13-10(14-9)16(5,6)8-7-15-4/h7-8H2,1-6H3.
What are the key properties of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane?
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane has a molecular weight of 262.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane is sourced from PubChem (CID 170371460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).