trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane

C7H14N2OS — CID 163787215

IUPACtrimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane
SMILESCc1nnc(CS(C)(C)C)o1
InChIInChI=1S/C7H14N2OS/c1-6-8-9-7(10-6)5-11(2,3)4/h5H2,1-4H3
InChIKeyMTOQNDOZJVTOBX-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.57
Rot. Bonds2

About trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane

trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane (PubChem CID 163787215) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane
PubChem CID163787215
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Nametrimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane
SMILESCc1nnc(CS(C)(C)C)o1
InChIInChI=1S/C7H14N2OS/c1-6-8-9-7(10-6)5-11(2,3)4/h5H2,1-4H3
InChIKeyMTOQNDOZJVTOBX-UHFFFAOYSA-N
XLogP1.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane?
The IUPAC name of trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane (CID 163787215) is trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane is Cc1nnc(CS(C)(C)C)o1.
What is the InChIKey of trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane?
The InChIKey is MTOQNDOZJVTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6-8-9-7(10-6)5-11(2,3)4/h5H2,1-4H3.
What are the key properties of trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane?
trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane has a molecular weight of 174.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-λ4-sulfane is sourced from PubChem (CID 163787215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).