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

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Related Compounds

2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63352505
4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66240879
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115345329
4-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 114211243
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349124
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103985680
N-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63351977
4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 113391148
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239900
4-ethyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 114512952
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619

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).