N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H21N5O3S — CID 106960980

IUPACN-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C11H21N5O3S/c1-4-12-9(2)10-13-14-11(19-10)15-5-7-16(8-6-15)20(3,17)18/h9,12H,4-8H2,1-3H3
InChIKeyABUJMVFMIYJFJC-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.18
Rot. Bonds5

About N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106960980) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106960980
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C11H21N5O3S/c1-4-12-9(2)10-13-14-11(19-10)15-5-7-16(8-6-15)20(3,17)18/h9,12H,4-8H2,1-3H3
InChIKeyABUJMVFMIYJFJC-UHFFFAOYSA-N
XLogP-0.18
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106960980) is N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1.
What is the InChIKey of N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is ABUJMVFMIYJFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-4-12-9(2)10-13-14-11(19-10)15-5-7-16(8-6-15)20(3,17)18/h9,12H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 303.39 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106960980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).