4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide

C15H26N2O2S — CID 60823872

IUPAC4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc(CNCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-11-17(13(3)4)20(18,19)15-9-7-14(8-10-15)12-16-6-2/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyAQVKLSOTWQEUFI-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.61
Rot. Bonds8

About 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide

4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 60823872) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID60823872
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc(CNCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-11-17(13(3)4)20(18,19)15-9-7-14(8-10-15)12-16-6-2/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyAQVKLSOTWQEUFI-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79479965
N-[[4-(2-methylpropylsulfonyl)phenyl]methyl]ethanamine
CID 82550554
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 65480215
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
4-(2-chloroethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63409305
2-fluoro-5-[propan-2-yl(propyl)sulfamoyl]benzoic acid
CID 43269326
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642
2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-sulfonamide
CID 55043729
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide (CID 60823872) is 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide is CCCN(C(C)C)S(=O)(=O)c1ccc(CNCC)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is AQVKLSOTWQEUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-11-17(13(3)4)20(18,19)15-9-7-14(8-10-15)12-16-6-2/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide?
4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 60823872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).