1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide

C15H26N2O3S — CID 106077524

IUPAC1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NCCOC(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-16-11-14-5-7-15(8-6-14)12-21(18,19)17-9-10-20-13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyUQAABCYFAWFUNN-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.64
Rot. Bonds10

About 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide

1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide (PubChem CID 106077524) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
PubChem CID106077524
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NCCOC(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-16-11-14-5-7-15(8-6-14)12-21(18,19)17-9-10-20-13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyUQAABCYFAWFUNN-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
4-(ethylaminomethyl)-2-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077617
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
CID 62455416
1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 106016045
1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 106068296
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362
N-(2-ethoxyethyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106020217
1-[4-(ethylaminomethyl)phenyl]-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 106423853
1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
CID 106331914
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
1-[4-(ethylaminomethyl)phenyl]-N-(4-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106080227

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide?
The IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide (CID 106077524) is 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide?
The canonical SMILES for 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide is CCNCc1ccc(CS(=O)(=O)NCCOC(C)C)cc1.
What is the InChIKey of 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide?
The InChIKey is UQAABCYFAWFUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-16-11-14-5-7-15(8-6-14)12-21(18,19)17-9-10-20-13(2)3/h5-8,13,16-17H,4,9-12H2,1-3H3.
What are the key properties of 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide?
1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide is sourced from PubChem (CID 106077524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).