N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine

C14H23NO4S2 — CID 64644621

IUPACN-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
SMILESCCNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO4S2/c1-4-15-14(13-7-5-12(2)6-8-13)11-21(18,19)10-9-20(3,16)17/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyCNISLUDVYOPPQX-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.11
Rot. Bonds8

About N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine

N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine (PubChem CID 64644621) has the molecular formula C14H23NO4S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
PubChem CID64644621
Molecular FormulaC14H23NO4S2
Molecular Weight333.48 g/mol
Exact Mass333.11
IUPAC NameN-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
SMILESCCNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C14H23NO4S2/c1-4-15-14(13-7-5-12(2)6-8-13)11-21(18,19)10-9-20(3,16)17/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyCNISLUDVYOPPQX-UHFFFAOYSA-N
XLogP1.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
CID 64646605
N-ethyl-1-(4-methylphenyl)-2-pentylsulfonylethanamine
CID 107758684
N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
CID 64645122
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
CID 64674358
N-ethyl-1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106495943
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
N-ethyl-1-(3-methylphenyl)-2-pentylsulfonylethanamine
CID 107758671
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfonyl)ethanamine
CID 64675879
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64611477
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848474

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine (CID 64644621) is N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine is CCNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The InChIKey is CNISLUDVYOPPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S2/c1-4-15-14(13-7-5-12(2)6-8-13)11-21(18,19)10-9-20(3,16)17/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine?
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine has a molecular weight of 333.48 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine is sourced from PubChem (CID 64644621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).