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

C7H14N4O3S — CID 103437150

IUPAC2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC(C)(CNc1nnc(N)o1)S(C)(=O)=O
InChIInChI=1S/C7H14N4O3S/c1-7(2,15(3,12)13)4-9-6-11-10-5(8)14-6/h4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyVYMJQXXGISZVNP-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.11
Rot. Bonds4

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

2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437150) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437150
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC(C)(CNc1nnc(N)o1)S(C)(=O)=O
InChIInChI=1S/C7H14N4O3S/c1-7(2,15(3,12)13)4-9-6-11-10-5(8)14-6/h4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyVYMJQXXGISZVNP-UHFFFAOYSA-N
XLogP-0.11
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437150) is 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine is CC(C)(CNc1nnc(N)o1)S(C)(=O)=O.
What is the InChIKey of 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is VYMJQXXGISZVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-7(2,15(3,12)13)4-9-6-11-10-5(8)14-6/h4H2,1-3H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 234.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).