4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide

C15H26N2O2S — CID 106032195

IUPAC4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC(CC)CC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-14(5-2)17-20(18,19)15-9-7-13(8-10-15)11-12-16-6-3/h7-10,14,16-17H,4-6,11-12H2,1-3H3
InChIKeyPJNAGLCOFVYYEO-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.31
Rot. Bonds9

About 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide

4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide (PubChem CID 106032195) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
PubChem CID106032195
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC(CC)CC)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-14(5-2)17-20(18,19)15-9-7-13(8-10-15)11-12-16-6-3/h7-10,14,16-17H,4-6,11-12H2,1-3H3
InChIKeyPJNAGLCOFVYYEO-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958116
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
CID 61246381
4-(2-chloroethyl)-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755137
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304
4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 885109
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
N-ethyl-3-(4-methylsulfonylphenyl)propan-1-amine
CID 98015477
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide (CID 106032195) is 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide is CCNCCc1ccc(S(=O)(=O)NC(CC)CC)cc1.
What is the InChIKey of 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is PJNAGLCOFVYYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-14(5-2)17-20(18,19)15-9-7-13(8-10-15)11-12-16-6-3/h7-10,14,16-17H,4-6,11-12H2,1-3H3.
What are the key properties of 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide?
4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 106032195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).