N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine

C13H21NO4S2 — CID 64646605

IUPACN-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
SMILESCCNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H21NO4S2/c1-3-14-13(12-7-5-4-6-8-12)11-20(17,18)10-9-19(2,15)16/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyUOFXVMJGLPXRHP-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.80
Rot. Bonds8

About N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine

N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine (PubChem CID 64646605) has the molecular formula C13H21NO4S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
PubChem CID64646605
Molecular FormulaC13H21NO4S2
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC NameN-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
SMILESCCNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H21NO4S2/c1-3-14-13(12-7-5-4-6-8-12)11-20(17,18)10-9-19(2,15)16/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyUOFXVMJGLPXRHP-UHFFFAOYSA-N
XLogP0.80
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64644621
N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759153
N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
CID 64645122
N-ethyl-1-(4-methylphenyl)-2-pentylsulfonylethanamine
CID 107758684
2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
CID 64674358
N-ethyl-1-(3-methylphenyl)-2-pentylsulfonylethanamine
CID 107758671
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512
3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
CID 60714061
2,2,2-trifluoro-N-(2-methylsulfonyl-1-phenylethyl)ethanamine
CID 75443631
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine
CID 106732316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine (CID 64646605) is N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine is CCNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine?
The InChIKey is UOFXVMJGLPXRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S2/c1-3-14-13(12-7-5-4-6-8-12)11-20(17,18)10-9-19(2,15)16/h4-8,13-14H,3,9-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine?
N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine has a molecular weight of 319.45 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine is sourced from PubChem (CID 64646605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).