1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine

C14H23NO4S2 — CID 64660125

IUPAC1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine
SMILESCCOc1ccc(C(CS(=O)CCS(C)(=O)=O)NC)cc1
InChIInChI=1S/C14H23NO4S2/c1-4-19-13-7-5-12(6-8-13)14(15-2)11-20(16)9-10-21(3,17)18/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyBABXJPDGNALHRV-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.14
Rot. Bonds9

About 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine

1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine (PubChem CID 64660125) has the molecular formula C14H23NO4S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine
PubChem CID64660125
Molecular FormulaC14H23NO4S2
Molecular Weight333.48 g/mol
Exact Mass333.11
IUPAC Name1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine
SMILESCCOc1ccc(C(CS(=O)CCS(C)(=O)=O)NC)cc1
InChIInChI=1S/C14H23NO4S2/c1-4-19-13-7-5-12(6-8-13)14(15-2)11-20(16)9-10-21(3,17)18/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyBABXJPDGNALHRV-UHFFFAOYSA-N
XLogP1.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfinyl)ethyl]propan-1-amine
CID 64652903
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516
N-[2-(2-methylsulfonylethylsulfinyl)-1-phenylethyl]propan-1-amine
CID 64676485
1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64651139
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54936865
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64652372
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine (CID 64660125) is 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine is CCOc1ccc(C(CS(=O)CCS(C)(=O)=O)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine?
The InChIKey is BABXJPDGNALHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S2/c1-4-19-13-7-5-12(6-8-13)14(15-2)11-20(16)9-10-21(3,17)18/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine?
1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine has a molecular weight of 333.48 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine is sourced from PubChem (CID 64660125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).