N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide

C14H24N2O2S — CID 54903483

IUPACN-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNCc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-4-16(19(3,17)18)11-5-10-15-12-14-8-6-13(2)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyLBUPKOKZBZMRNP-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.76
Rot. Bonds8

About N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide (PubChem CID 54903483) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
PubChem CID54903483
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNCc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-4-16(19(3,17)18)11-5-10-15-12-14-8-6-13(2)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyLBUPKOKZBZMRNP-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[3-[(4-nitrophenyl)methylamino]propyl]methanesulfonamide
CID 61014886
1-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111245079
1-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111245078
N-ethyl-N-[3-[(2-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903438
N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide
CID 61013654
N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
CID 115652579
3-[(4-methylphenyl)methylamino]propane-1-sulfonic acid
CID 11976877
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
3-[[3-[ethyl(methylsulfonyl)amino]propylamino]methyl]furan-2-carboxylic acid
CID 103241515
N-[3-[(2-chloro-3-fluorophenyl)methylamino]propyl]-N-ethylmethanesulfonamide
CID 115982817
N-ethyl-N-[3-(thiadiazol-4-ylmethylamino)propyl]methanesulfonamide
CID 54903680

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide (CID 54903483) is N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide is CCN(CCCNCc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide?
The InChIKey is LBUPKOKZBZMRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-16(19(3,17)18)11-5-10-15-12-14-8-6-13(2)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 54903483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).