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

C5H10N4O3S — CID 103436706

IUPAC2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCS(=O)(=O)CCNc1nnc(N)o1
InChIInChI=1S/C5H10N4O3S/c1-13(10,11)3-2-7-5-9-8-4(6)12-5/h2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyJQKRGAXXUQCVMF-UHFFFAOYSA-N
MW206.23 g/mol
LogP-0.89
Rot. Bonds4

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

2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436706) has the molecular formula C5H10N4O3S and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436706
Molecular FormulaC5H10N4O3S
Molecular Weight206.23 g/mol
Exact Mass206.05
IUPAC Name2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCS(=O)(=O)CCNc1nnc(N)o1
InChIInChI=1S/C5H10N4O3S/c1-13(10,11)3-2-7-5-9-8-4(6)12-5/h2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyJQKRGAXXUQCVMF-UHFFFAOYSA-N
XLogP-0.89
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436706) is 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine is CS(=O)(=O)CCNc1nnc(N)o1.
What is the InChIKey of 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is JQKRGAXXUQCVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O3S/c1-13(10,11)3-2-7-5-9-8-4(6)12-5/h2-3H2,1H3,(H2,6,8)(H,7,9).
What are the key properties of 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 206.23 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylsulfonylethyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).