2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine

C19H25NO3S — CID 23695

IUPAC2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCCS(=O)(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO3S/c1-20(2)13-14-23-15-16-24(21,22)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyIOEBXHQDIULCMA-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.77
Rot. Bonds9

About 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine

2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine (PubChem CID 23695) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine
PubChem CID23695
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCCS(=O)(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO3S/c1-20(2)13-14-23-15-16-24(21,22)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyIOEBXHQDIULCMA-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
4-benzhydrylsulfonylbutanenitrile
CID 82183219
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
1-benzhydrylsulfonylpropan-2-one
CID 21035141
N,N-dimethyl-2-[2-(4-phenylpyridin-1-ium-1-yl)ethoxy]ethanamine
CID 23387081
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine (CID 23695) is 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine is CN(C)CCOCCS(=O)(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine?
The InChIKey is IOEBXHQDIULCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-20(2)13-14-23-15-16-24(21,22)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3.
What are the key properties of 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine?
2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine has a molecular weight of 347.48 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydrylsulfonylethoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 23695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).