4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide

C15H26N2O3S — CID 115729207

IUPAC4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCCC(O)CCNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-14(18)10-11-16-12(2)13-6-8-15(9-7-13)21(19,20)17(3)4/h6-9,12,14,16,18H,5,10-11H2,1-4H3
InChIKeyUXQXXWBUZUDHPE-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.75
Rot. Bonds8

About 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide

4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 115729207) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID115729207
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCCC(O)CCNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-14(18)10-11-16-12(2)13-6-8-15(9-7-13)21(19,20)17(3)4/h6-9,12,14,16,18H,5,10-11H2,1-4H3
InChIKeyUXQXXWBUZUDHPE-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

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Related Compounds

4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
N,N-dimethyl-4-[1-(4-methylsulfanylbutylamino)ethyl]benzenesulfonamide
CID 115677168
4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 63298736
4-[1-(hex-5-ynylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 103903594
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide (CID 115729207) is 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide is CCC(O)CCNC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UXQXXWBUZUDHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-14(18)10-11-16-12(2)13-6-8-15(9-7-13)21(19,20)17(3)4/h6-9,12,14,16,18H,5,10-11H2,1-4H3.
What are the key properties of 4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-(3-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-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 115729207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).