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

C8H15N3O4S — CID 62472534

IUPAC3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOCCC(N)c1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C8H15N3O4S/c1-14-4-3-6(9)8-10-7(11-15-8)5-16(2,12)13/h6H,3-5,9H2,1-2H3
InChIKeySFQRHBSKMDKQAN-UHFFFAOYSA-N
MW249.29 g/mol
LogP-0.35
Rot. Bonds6

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

3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 62472534) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID62472534
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC Name3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOCCC(N)c1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C8H15N3O4S/c1-14-4-3-6(9)8-10-7(11-15-8)5-16(2,12)13/h6H,3-5,9H2,1-2H3
InChIKeySFQRHBSKMDKQAN-UHFFFAOYSA-N
XLogP-0.35
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 62472534) is 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is COCCC(N)c1nc(CS(C)(=O)=O)no1.
What is the InChIKey of 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is SFQRHBSKMDKQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-14-4-3-6(9)8-10-7(11-15-8)5-16(2,12)13/h6H,3-5,9H2,1-2H3.
What are the key properties of 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 249.29 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 62472534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).