4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide

C17H23N3O3S — CID 119114847

IUPAC4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(O)c(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C17H23N3O3S/c1-12-5-10-17(21)16(19-12)11-18-13(2)14-6-8-15(9-7-14)24(22,23)20(3)4/h5-10,13,18,21H,11H2,1-4H3
InChIKeyLBIOZXYWJDNDBY-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.20
Rot. Bonds6

About 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide

4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 119114847) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID119114847
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(O)c(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C17H23N3O3S/c1-12-5-10-17(21)16(19-12)11-18-13(2)14-6-8-15(9-7-14)24(22,23)20(3)4/h5-10,13,18,21H,11H2,1-4H3
InChIKeyLBIOZXYWJDNDBY-UHFFFAOYSA-N
XLogP2.20
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[[1-(4-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928742
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
N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 71892205
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
6-methyl-2-[[1-(3-nitrophenyl)ethylamino]methyl]pyridin-3-ol
CID 78928473
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
CID 78928516
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[1-(4-methylsulfanylbutylamino)ethyl]benzenesulfonamide
CID 115677168
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 119114847) is 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide is Cc1ccc(O)c(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)n1.
What is the InChIKey of 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is LBIOZXYWJDNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-5-10-17(21)16(19-12)11-18-13(2)14-6-8-15(9-7-14)24(22,23)20(3)4/h5-10,13,18,21H,11H2,1-4H3.
What are the key properties of 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 119114847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).