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

C10H19N5O3S — CID 106960975

IUPACN-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C10H19N5O3S/c1-8(11-2)9-12-13-10(18-9)14-4-6-15(7-5-14)19(3,16)17/h8,11H,4-7H2,1-3H3
InChIKeyVDHDSHLUXOQJEX-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.57
Rot. Bonds4

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

N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106960975) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106960975
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC NameN-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C10H19N5O3S/c1-8(11-2)9-12-13-10(18-9)14-4-6-15(7-5-14)19(3,16)17/h8,11H,4-7H2,1-3H3
InChIKeyVDHDSHLUXOQJEX-UHFFFAOYSA-N
XLogP-0.57
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Ethyl-1,3,4-oxadiazol-2-yl)-4-(methylsulfonyl)piperazine
CID 72927859
1-[5-(4-Methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 24255140
N-[[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 105597769
1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 105597778
N-[1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 105597783
1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 105597785
N-[[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 105597788
1-[5-(2,4-Dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 105597790
1-[5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 105597791
5-[1-(ethylamino)ethyl]-N-(2-ethylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 105789725
N-(2-ethylsulfonylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105789727
5-[1-(ethylamino)ethyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106327730

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106960975) is N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)o1.
What is the InChIKey of N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is VDHDSHLUXOQJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-8(11-2)9-12-13-10(18-9)14-4-6-15(7-5-14)19(3,16)17/h8,11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 289.36 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106960975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).