2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline

C13H17N3O3S — CID 102846338

IUPAC2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCCc1noc(C)n1
InChIInChI=1S/C13H17N3O3S/c1-3-20(17,18)12-7-5-4-6-11(12)14-9-8-13-15-10(2)19-16-13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyMDNRAGCLZSFGRK-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.83
Rot. Bonds6

About 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline

2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline (PubChem CID 102846338) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline
PubChem CID102846338
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCCc1noc(C)n1
InChIInChI=1S/C13H17N3O3S/c1-3-20(17,18)12-7-5-4-6-11(12)14-9-8-13-15-10(2)19-16-13/h4-7,14H,3,8-9H2,1-2H3
InChIKeyMDNRAGCLZSFGRK-UHFFFAOYSA-N
XLogP1.83
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline 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

2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220
1-N-methyl-3-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitrobenzene-1,3-diamine
CID 106424176
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
CID 102846283
2-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 64529869
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
CID 106424721
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106401506
2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
CID 102846547
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106422577
2-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 113239631
2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-nitroaniline
CID 106418550
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline (CID 102846338) is 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline is CCS(=O)(=O)c1ccccc1NCCc1noc(C)n1.
What is the InChIKey of 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline?
The InChIKey is MDNRAGCLZSFGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-20(17,18)12-7-5-4-6-11(12)14-9-8-13-15-10(2)19-16-13/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline?
2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline has a molecular weight of 295.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline is sourced from PubChem (CID 102846338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).