5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C9H10N4O3S — CID 63154240

IUPAC5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCS(=O)(=O)Cc1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C9H10N4O3S/c1-17(14,15)5-8-12-9(16-13-8)6-2-7(10)4-11-3-6/h2-4H,5,10H2,1H3
InChIKeyRKDJXNARFNZEDV-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.26
Rot. Bonds3

About 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 63154240) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID63154240
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCS(=O)(=O)Cc1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C9H10N4O3S/c1-17(14,15)5-8-12-9(16-13-8)6-2-7(10)4-11-3-6/h2-4H,5,10H2,1H3
InChIKeyRKDJXNARFNZEDV-UHFFFAOYSA-N
XLogP0.26
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 63154240) is 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CS(=O)(=O)Cc1noc(-c2cncc(N)c2)n1.
What is the InChIKey of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is RKDJXNARFNZEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c1-17(14,15)5-8-12-9(16-13-8)6-2-7(10)4-11-3-6/h2-4H,5,10H2,1H3.
What are the key properties of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 254.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 63154240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).