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

C8H13N3O4S — CID 64890771

IUPAC3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCS(=O)(=O)Cc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C8H13N3O4S/c1-16(12,13)4-6-10-7(15-11-6)8(9)2-3-14-5-8/h2-5,9H2,1H3
InChIKeyYLUXARSAMWBPHG-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.81
Rot. Bonds3

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

3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 64890771) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID64890771
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCS(=O)(=O)Cc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C8H13N3O4S/c1-16(12,13)4-6-10-7(15-11-6)8(9)2-3-14-5-8/h2-5,9H2,1H3
InChIKeyYLUXARSAMWBPHG-UHFFFAOYSA-N
XLogP-0.81
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 ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62472534
3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64888065
3-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64888443
3-(3-Butan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64888451
3-[3-(Methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64888828
3-(3-Propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64889018
3-[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64889399
3-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64889791
3-(3-Ethyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64890181
3-(3-Methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64890378
3-[3-(3-Methoxypropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 65094743
3-[3-(Propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 65130037

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 64890771) is 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CS(=O)(=O)Cc1noc(C2(N)CCOC2)n1.
What is the InChIKey of 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is YLUXARSAMWBPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-16(12,13)4-6-10-7(15-11-6)8(9)2-3-14-5-8/h2-5,9H2,1H3.
What are the key properties of 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 247.28 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 64890771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).