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

C8H14N4O4S — CID 107436675

IUPAC2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESCC(c1noc(CNCC(N)=O)n1)S(C)(=O)=O
InChIInChI=1S/C8H14N4O4S/c1-5(17(2,14)15)8-11-7(16-12-8)4-10-3-6(9)13/h5,10H,3-4H2,1-2H3,(H2,9,13)
InChIKeyZLVSHMHUNAEKKK-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.25
Rot. Bonds6

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

2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (PubChem CID 107436675) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
PubChem CID107436675
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESCC(c1noc(CNCC(N)=O)n1)S(C)(=O)=O
InChIInChI=1S/C8H14N4O4S/c1-5(17(2,14)15)8-11-7(16-12-8)4-10-3-6(9)13/h5,10H,3-4H2,1-2H3,(H2,9,13)
InChIKeyZLVSHMHUNAEKKK-UHFFFAOYSA-N
XLogP-1.25
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837
2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436380
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436449
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116632871
2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436554
2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157921
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116633564
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483639
2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436593
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436718
ethyl 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116632875
2-[[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436752

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The IUPAC name of 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (CID 107436675) is 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The canonical SMILES for 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is CC(c1noc(CNCC(N)=O)n1)S(C)(=O)=O.
What is the InChIKey of 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The InChIKey is ZLVSHMHUNAEKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-5(17(2,14)15)8-11-7(16-12-8)4-10-3-6(9)13/h5,10H,3-4H2,1-2H3,(H2,9,13).
What are the key properties of 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide has a molecular weight of 262.29 g/mol, XLogP of -1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is sourced from PubChem (CID 107436675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).