N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide

C13H22N2O2S — CID 60823564

IUPACN-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1ccc(CNC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-10-15(5-2)18(16,17)13-8-6-12(7-9-13)11-14-3/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyASGYWKIZSNEDTD-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.83
Rot. Bonds7

About N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide

N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide (PubChem CID 60823564) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
PubChem CID60823564
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1ccc(CNC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-10-15(5-2)18(16,17)13-8-6-12(7-9-13)11-14-3/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyASGYWKIZSNEDTD-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide
CID 61425416
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824808
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
4-formyl-N,N-dipropylbenzenesulfonamide
CID 138962999
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide (CID 60823564) is N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide is CCCN(CC)S(=O)(=O)c1ccc(CNC)cc1.
What is the InChIKey of N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide?
The InChIKey is ASGYWKIZSNEDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-10-15(5-2)18(16,17)13-8-6-12(7-9-13)11-14-3/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide?
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 60823564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).