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

C15H26N2O3S — CID 107270144

IUPAC4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(O)CCCNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-12(18)6-5-11-16-13(2)14-7-9-15(10-8-14)21(19,20)17(3)4/h7-10,12-13,16,18H,5-6,11H2,1-4H3
InChIKeyPPUICEMFQCAUNY-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.75
Rot. Bonds8

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

4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 107270144) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID107270144
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(O)CCCNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-12(18)6-5-11-16-13(2)14-7-9-15(10-8-14)21(19,20)17(3)4/h7-10,12-13,16,18H,5-6,11H2,1-4H3
InChIKeyPPUICEMFQCAUNY-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
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-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 63298736
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-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115896099

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide (CID 107270144) is 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide is CC(O)CCCNC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is PPUICEMFQCAUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-12(18)6-5-11-16-13(2)14-7-9-15(10-8-14)21(19,20)17(3)4/h7-10,12-13,16,18H,5-6,11H2,1-4H3.
What are the key properties of 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107270144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).