1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine

C12H22N4O4S — CID 104636243

IUPAC1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
SMILESCC(C)(c1nc(C(N)CN2CCOCC2)no1)S(C)(=O)=O
InChIInChI=1S/C12H22N4O4S/c1-12(2,21(3,17)18)11-14-10(15-20-11)9(13)8-16-4-6-19-7-5-16/h9H,4-8,13H2,1-3H3
InChIKeyWHNKJXNFYUZXIW-UHFFFAOYSA-N
MW318.40 g/mol
LogP-0.32
Rot. Bonds5

About 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine

1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine (PubChem CID 104636243) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
PubChem CID104636243
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Name1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
SMILESCC(C)(c1nc(C(N)CN2CCOCC2)no1)S(C)(=O)=O
InChIInChI=1S/C12H22N4O4S/c1-12(2,21(3,17)18)11-14-10(15-20-11)9(13)8-16-4-6-19-7-5-16/h9H,4-8,13H2,1-3H3
InChIKeyWHNKJXNFYUZXIW-UHFFFAOYSA-N
XLogP-0.32
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine with MolForge

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Related Compounds

2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636187
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 113435617
2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636166
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 114876459
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636131
1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636160
1-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636193
2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636221
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636222
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104786455

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The IUPAC name of 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine (CID 104636243) is 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The canonical SMILES for 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine is CC(C)(c1nc(C(N)CN2CCOCC2)no1)S(C)(=O)=O.
What is the InChIKey of 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The InChIKey is WHNKJXNFYUZXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-12(2,21(3,17)18)11-14-10(15-20-11)9(13)8-16-4-6-19-7-5-16/h9H,4-8,13H2,1-3H3.
What are the key properties of 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine has a molecular weight of 318.40 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 104636243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).