4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide

C14H24N2O2S — CID 43507083

IUPAC4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(C(C)NCC)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-11-16(4)19(17,18)14-9-7-13(8-10-14)12(3)15-6-2/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeySKEIXNVMYBHGBQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.39
Rot. Bonds7

About 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide

4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide (PubChem CID 43507083) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
PubChem CID43507083
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(C(C)NCC)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-11-16(4)19(17,18)14-9-7-13(8-10-14)12(3)15-6-2/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeySKEIXNVMYBHGBQ-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43506894
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43570487
N-methyl-N-(2-methylsulfanylethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 115986114
4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986126
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 63700082
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
2-[ethyl-[4-[1-(ethylamino)ethyl]phenyl]sulfonylamino]acetamide
CID 103102881
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79850828
N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide (CID 43507083) is 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1ccc(C(C)NCC)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide?
The InChIKey is SKEIXNVMYBHGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-11-16(4)19(17,18)14-9-7-13(8-10-14)12(3)15-6-2/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide?
4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 43507083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).