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

C12H22N4O3S2 — CID 106962750

IUPACN-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(N2CCSCC2S(=O)(=O)CC)o1
InChIInChI=1S/C12H22N4O3S2/c1-4-13-9(3)11-14-15-12(19-11)16-6-7-20-8-10(16)21(17,18)5-2/h9-10,13H,4-8H2,1-3H3
InChIKeyHVSAHGFZSOQYOV-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.05
Rot. Bonds6

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

N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106962750) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106962750
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC NameN-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(N2CCSCC2S(=O)(=O)CC)o1
InChIInChI=1S/C12H22N4O3S2/c1-4-13-9(3)11-14-15-12(19-11)16-6-7-20-8-10(16)21(17,18)5-2/h9-10,13H,4-8H2,1-3H3
InChIKeyHVSAHGFZSOQYOV-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-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-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962734
2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106962739
N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106962731
N-ethyl-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967595
1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106971050
1-[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106965329
3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960724
3-ethylsulfonyl-4-(5-iodopyrimidin-4-yl)thiomorpholine
CID 66376036
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66377163
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylsulfonylthiomorpholine
CID 81035581
N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106961781
1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106963222

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106962750) is N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(N2CCSCC2S(=O)(=O)CC)o1.
What is the InChIKey of N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is HVSAHGFZSOQYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-4-13-9(3)11-14-15-12(19-11)16-6-7-20-8-10(16)21(17,18)5-2/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 334.47 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106962750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).