2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

C12H22N4O3S2 — CID 106962739

IUPAC2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(N2CCSCC2S(C)(=O)=O)o1
InChIInChI=1S/C12H22N4O3S2/c1-9(2)6-13-7-10-14-15-12(19-10)16-4-5-20-8-11(16)21(3,17)18/h9,11,13H,4-8H2,1-3H3
InChIKeyUFNVGINTHVPQBV-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.74
Rot. Bonds6

About 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 106962739) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID106962739
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(N2CCSCC2S(C)(=O)=O)o1
InChIInChI=1S/C12H22N4O3S2/c1-9(2)6-13-7-10-14-15-12(19-10)16-4-5-20-8-11(16)21(3,17)18/h9,11,13H,4-8H2,1-3H3
InChIKeyUFNVGINTHVPQBV-UHFFFAOYSA-N
XLogP0.74
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106962731
1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962734
2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106959981
N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962750
1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
CID 106967389
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 66383798
N-[[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106965328
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66383428
N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106968181
4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
CID 106962540
2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960422
2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 81004535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 106962739) is 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nnc(N2CCSCC2S(C)(=O)=O)o1.
What is the InChIKey of 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is UFNVGINTHVPQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-9(2)6-13-7-10-14-15-12(19-10)16-4-5-20-8-11(16)21(3,17)18/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 334.47 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106962739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).