4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide

C14H24N2O2S — CID 60960679

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

About 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide

4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 60960679) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID60960679
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCCCCNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-6-11-15-12(2)13-7-9-14(10-8-13)19(17,18)16(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyIMBRGHSMCXOXHT-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

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
N,N-dimethyl-4-[1-(4-methylsulfanylbutylamino)ethyl]benzenesulfonamide
CID 115677168
4-[1-(hex-5-ynylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 103903594
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 71862788
N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63560932
N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115896099

Frequently Asked Questions

What is the IUPAC name of 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide (CID 60960679) is 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide is CCCCNC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is IMBRGHSMCXOXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-6-11-15-12(2)13-7-9-14(10-8-13)19(17,18)16(3)4/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide 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-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 60960679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).