2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine

C8H16N4OS — CID 103437265

IUPAC2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CSC)N(C)c1nnc(N)o1
InChIInChI=1S/C8H16N4OS/c1-4-6(5-14-3)12(2)8-11-10-7(9)13-8/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyBAFBFZQQVFZDOJ-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.23
Rot. Bonds5

About 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437265) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437265
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CSC)N(C)c1nnc(N)o1
InChIInChI=1S/C8H16N4OS/c1-4-6(5-14-3)12(2)8-11-10-7(9)13-8/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyBAFBFZQQVFZDOJ-UHFFFAOYSA-N
XLogP1.23
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437265) is 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine is CCC(CSC)N(C)c1nnc(N)o1.
What is the InChIKey of 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is BAFBFZQQVFZDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-4-6(5-14-3)12(2)8-11-10-7(9)13-8/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 216.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).