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

C8H13N3O4S — CID 66238890

IUPAC4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCS(=O)(=O)Cc1noc(C2COCC2N)n1
InChIInChI=1S/C8H13N3O4S/c1-16(12,13)4-7-10-8(15-11-7)5-2-14-3-6(5)9/h5-6H,2-4,9H2,1H3
InChIKeyCEGSTFNNEYVTID-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.94
Rot. Bonds3

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

4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66238890) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66238890
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCS(=O)(=O)Cc1noc(C2COCC2N)n1
InChIInChI=1S/C8H13N3O4S/c1-16(12,13)4-7-10-8(15-11-7)5-2-14-3-6(5)9/h5-6H,2-4,9H2,1H3
InChIKeyCEGSTFNNEYVTID-UHFFFAOYSA-N
XLogP-0.94
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66238890) is 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CS(=O)(=O)Cc1noc(C2COCC2N)n1.
What is the InChIKey of 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is CEGSTFNNEYVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-16(12,13)4-7-10-8(15-11-7)5-2-14-3-6(5)9/h5-6H,2-4,9H2,1H3.
What are the key properties of 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 247.28 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66238890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).