4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide

C14H24N2O3S — CID 115900312

IUPAC4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCCC(O)CNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-5-13(17)10-15-11(2)12-6-8-14(9-7-12)20(18,19)16(3)4/h6-9,11,13,15,17H,5,10H2,1-4H3
InChIKeyKQSSGFMOGAGDFG-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.36
Rot. Bonds7

About 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide

4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 115900312) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID115900312
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCCC(O)CNC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-5-13(17)10-15-11(2)12-6-8-14(9-7-12)20(18,19)16(3)4/h6-9,11,13,15,17H,5,10H2,1-4H3
InChIKeyKQSSGFMOGAGDFG-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
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-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115896099
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
4-(2-hydroxybutyl)-N,N-dimethylbenzenesulfonamide
CID 55163578
N,N-dimethyl-4-[1-[(3,4,5-trifluorophenyl)methylamino]ethyl]benzenesulfonamide
CID 119113191
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43506894

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide (CID 115900312) is 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide is CCC(O)CNC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is KQSSGFMOGAGDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-13(17)10-15-11(2)12-6-8-14(9-7-12)20(18,19)16(3)4/h6-9,11,13,15,17H,5,10H2,1-4H3.
What are the key properties of 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 115900312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).