4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide

C15H26N2O3S — CID 106032258

IUPAC4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(CC)CC)cc1CNC
InChIInChI=1S/C15H26N2O3S/c1-5-13(6-2)17-21(18,19)14-8-9-15(20-7-3)12(10-14)11-16-4/h8-10,13,16-17H,5-7,11H2,1-4H3
InChIKeyJOINSUJFXGMKRS-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.27
Rot. Bonds9

About 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide

4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 106032258) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID106032258
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(CC)CC)cc1CNC
InChIInChI=1S/C15H26N2O3S/c1-5-13(6-2)17-21(18,19)14-8-9-15(20-7-3)12(10-14)11-16-4/h8-10,13,16-17H,5-7,11H2,1-4H3
InChIKeyJOINSUJFXGMKRS-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032010
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
4-ethoxy-3-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031601
3-(aminomethyl)-4-ethoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083858
3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501581
4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086442
4-ethoxy-3-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081343
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988407
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide (CID 106032258) is 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(CC)CC)cc1CNC.
What is the InChIKey of 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is JOINSUJFXGMKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-13(6-2)17-21(18,19)14-8-9-15(20-7-3)12(10-14)11-16-4/h8-10,13,16-17H,5-7,11H2,1-4H3.
What are the key properties of 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 106032258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).