4-[2-(ethylamino)ethylsulfonyl]aniline

C10H16N2O2S — CID 154432818

IUPAC4-[2-(ethylamino)ethylsulfonyl]aniline
SMILESCCNCCS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-12-7-8-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8,11H2,1H3
InChIKeyJYYKFTKDOPQCRP-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.65
Rot. Bonds5

About 4-[2-(ethylamino)ethylsulfonyl]aniline

4-[2-(ethylamino)ethylsulfonyl]aniline (PubChem CID 154432818) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethylsulfonyl]aniline.

Molecular Properties

Compound Name4-[2-(ethylamino)ethylsulfonyl]aniline
PubChem CID154432818
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[2-(ethylamino)ethylsulfonyl]aniline
SMILESCCNCCS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-12-7-8-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8,11H2,1H3
InChIKeyJYYKFTKDOPQCRP-UHFFFAOYSA-N
XLogP0.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide
CID 95473955
4-(2-ethoxyethylsulfonyl)aniline
CID 61368221
4-(2-methylbutylsulfonyl)aniline
CID 62105526
4-[(4-propylsulfonylanilino)methyl]aniline
CID 60874910
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
3-(4-aminophenyl)sulfonylpropanamide
CID 61367837
N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine
CID 69274920
4-(chloromethylsulfonyl)aniline
CID 12707626
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742
N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64644839
N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
CID 64675325
2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
CID 139892733

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethylsulfonyl]aniline?
The IUPAC name of 4-[2-(ethylamino)ethylsulfonyl]aniline (CID 154432818) is 4-[2-(ethylamino)ethylsulfonyl]aniline.
What is the SMILES notation for 4-[2-(ethylamino)ethylsulfonyl]aniline?
The canonical SMILES for 4-[2-(ethylamino)ethylsulfonyl]aniline is CCNCCS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-[2-(ethylamino)ethylsulfonyl]aniline?
The InChIKey is JYYKFTKDOPQCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-12-7-8-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8,11H2,1H3.
What are the key properties of 4-[2-(ethylamino)ethylsulfonyl]aniline?
4-[2-(ethylamino)ethylsulfonyl]aniline has a molecular weight of 228.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethylsulfonyl]aniline is sourced from PubChem (CID 154432818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).