1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine

C13H21NO5S2 — CID 64646603

IUPAC1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
SMILESCNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO5S2/c1-14-13(11-4-6-12(19-2)7-5-11)10-21(17,18)9-8-20(3,15)16/h4-7,13-14H,8-10H2,1-3H3
InChIKeyZIOBNLGMVXNEAN-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.42
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine

1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine (PubChem CID 64646603) has the molecular formula C13H21NO5S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
PubChem CID64646603
Molecular FormulaC13H21NO5S2
Molecular Weight335.45 g/mol
Exact Mass335.09
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
SMILESCNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO5S2/c1-14-13(11-4-6-12(19-2)7-5-11)10-21(17,18)9-8-20(3,15)16/h4-7,13-14H,8-10H2,1-3H3
InChIKeyZIOBNLGMVXNEAN-UHFFFAOYSA-N
XLogP0.42
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]sulfonylacetate
CID 64676552
1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759604
1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
CID 64645996
N-ethyl-1-(4-methoxyphenyl)-2-pentylsulfonylethanamine
CID 107758512
1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64644621
(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 81371404
1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758027
N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
CID 64644731
2-acetamido-2-(4-methoxyphenyl)ethanesulfonic acid
CID 11380284
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine (CID 64646603) is 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine is CNC(CS(=O)(=O)CCS(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The InChIKey is ZIOBNLGMVXNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-14-13(11-4-6-12(19-2)7-5-11)10-21(17,18)9-8-20(3,15)16/h4-7,13-14H,8-10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine?
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine has a molecular weight of 335.45 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine is sourced from PubChem (CID 64646603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).