1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C7H13N3O3S — CID 104521857

IUPAC1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-4(8)6-9-7(13-10-6)5(2)14(3,11)12/h4-5H,8H2,1-3H3
InChIKeyRHPJOEGSMOKSNX-UHFFFAOYSA-N
MW219.27 g/mol
LogP0.19
Rot. Bonds3

About 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104521857) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104521857
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-4(8)6-9-7(13-10-6)5(2)14(3,11)12/h4-5H,8H2,1-3H3
InChIKeyRHPJOEGSMOKSNX-UHFFFAOYSA-N
XLogP0.19
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
CID 131201821
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104521895
(1S)-3-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904314
1-(5-methylsulfonyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 69459501
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660464
2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112735076
4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116632620
2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 83290514
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837
ethyl 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116632875
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116633598

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104521857) is 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is RHPJOEGSMOKSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-4(8)6-9-7(13-10-6)5(2)14(3,11)12/h4-5H,8H2,1-3H3.
What are the key properties of 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 219.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104521857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).