[(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium

C20H30N3O2S+ — CID 7497943

IUPAC[(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium
SMILESCN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)[NH+](C)C)cc1
InChIInChI=1S/C20H29N3O2S/c1-22(2)19-12-10-18(11-13-19)20(23(3)4)16-21-26(24,25)15-14-17-8-6-5-7-9-17/h5-13,20-21H,14-16H2,1-4H3/p+1/t20-/m0/s1
InChIKeyRIPUKUYEVURKJZ-FQEVSTJZSA-O
MW376.55 g/mol
LogP1.10
Rot. Bonds9

About [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium

[(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium (PubChem CID 7497943) has the molecular formula C20H30N3O2S+ and a molecular weight of 376.55 g/mol. Its IUPAC name is [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium
PubChem CID7497943
Molecular FormulaC20H30N3O2S+
Molecular Weight376.55 g/mol
Exact Mass376.21
IUPAC Name[(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium
SMILESCN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)[NH+](C)C)cc1
InChIInChI=1S/C20H29N3O2S/c1-22(2)19-12-10-18(11-13-19)20(23(3)4)16-21-26(24,25)15-14-17-8-6-5-7-9-17/h5-13,20-21H,14-16H2,1-4H3/p+1/t20-/m0/s1
InChIKeyRIPUKUYEVURKJZ-FQEVSTJZSA-O
XLogP1.10
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
[(1R)-2-(bromomethylsulfonylamino)-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7497927
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-phenylethanesulfonamide
CID 43957121
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(4-ethylphenyl)sulfonylamino]ethyl]-dimethylazanium
CID 7497827
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(2-nitrophenyl)sulfonylamino]ethyl]-dimethylazanium
CID 7497862
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethylphenyl)sulfonylamino]ethyl]-dimethylazanium
CID 7497783
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
[(1S)-1-[4-(dimethylamino)phenyl]-2-(phenoxycarbonylamino)ethyl]-dimethylazanium
CID 7496155
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 7497762
[(1R)-1-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenyl)acetyl]amino]ethyl]-dimethylazanium
CID 7495970
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 9159185

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium (CID 7497943) is [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium is CN(C)c1ccc([C@H](CNS(=O)(=O)CCc2ccccc2)[NH+](C)C)cc1.
What is the InChIKey of [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium?
The InChIKey is RIPUKUYEVURKJZ-FQEVSTJZSA-O. The full InChI is InChI=1S/C20H29N3O2S/c1-22(2)19-12-10-18(11-13-19)20(23(3)4)16-21-26(24,25)15-14-17-8-6-5-7-9-17/h5-13,20-21H,14-16H2,1-4H3/p+1/t20-/m0/s1.
What are the key properties of [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium?
[(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium has a molecular weight of 376.55 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-(dimethylamino)phenyl]-2-(2-phenylethylsulfonylamino)ethyl]-dimethylazanium is sourced from PubChem (CID 7497943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).