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

C6H11N3O3S — CID 116632837

IUPAC[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(c1noc(CN)n1)S(C)(=O)=O
InChIInChI=1S/C6H11N3O3S/c1-4(13(2,10)11)6-8-5(3-7)12-9-6/h4H,3,7H2,1-2H3
InChIKeyLDKIMHRDUSIDCK-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.37
Rot. Bonds3

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

[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 116632837) has the molecular formula C6H11N3O3S and a molecular weight of 205.24 g/mol. Its IUPAC name is [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID116632837
Molecular FormulaC6H11N3O3S
Molecular Weight205.24 g/mol
Exact Mass205.05
IUPAC Name[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(c1noc(CN)n1)S(C)(=O)=O
InChIInChI=1S/C6H11N3O3S/c1-4(13(2,10)11)6-8-5(3-7)12-9-6/h4H,3,7H2,1-2H3
InChIKeyLDKIMHRDUSIDCK-UHFFFAOYSA-N
XLogP-0.37
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157921
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436675
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483639
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116633564
4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 116632721
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116632871
4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116632620
(1S)-3-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904314
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116632608
2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112735076

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 116632837) is [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine is CC(c1noc(CN)n1)S(C)(=O)=O.
What is the InChIKey of [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is LDKIMHRDUSIDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S/c1-4(13(2,10)11)6-8-5(3-7)12-9-6/h4H,3,7H2,1-2H3.
What are the key properties of [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 116632837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).