N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

C10H20N4O3S — CID 113435589

IUPACN',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(CS(C)(=O)=O)n1
InChIInChI=1S/C10H20N4O3S/c1-4-14(5-2)6-8(11)10-12-9(17-13-10)7-18(3,15)16/h8H,4-7,11H2,1-3H3
InChIKeyXNFKZTRJDZWNCC-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.04
Rot. Bonds7

About N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 113435589) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID113435589
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1noc(CS(C)(=O)=O)n1
InChIInChI=1S/C10H20N4O3S/c1-4-14(5-2)6-8(11)10-12-9(17-13-10)7-18(3,15)16/h8H,4-7,11H2,1-3H3
InChIKeyXNFKZTRJDZWNCC-UHFFFAOYSA-N
XLogP-0.04
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine 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-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 113435584
1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096225
N',N'-diethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635646
3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 131114260
N',N'-diethyl-1-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104672221
N',N'-diethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635635
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635621
1-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635622
1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635449
N',N'-diethyl-1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635674
N',N'-diethyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635435
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635578

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 113435589) is N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is CCN(CC)CC(N)c1noc(CS(C)(=O)=O)n1.
What is the InChIKey of N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is XNFKZTRJDZWNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-4-14(5-2)6-8(11)10-12-9(17-13-10)7-18(3,15)16/h8H,4-7,11H2,1-3H3.
What are the key properties of N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 276.36 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 113435589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).