N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine

C15H23NO2S — CID 104754394

IUPACN-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CS(=O)c1ccc(C)cc1)C1CCOC1
InChIInChI=1S/C15H23NO2S/c1-3-16-15(13-8-9-18-10-13)11-19(17)14-6-4-12(2)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyZYHYKPMQGVMRFD-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.12
Rot. Bonds6

About N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine

N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104754394) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
PubChem CID104754394
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CS(=O)c1ccc(C)cc1)C1CCOC1
InChIInChI=1S/C15H23NO2S/c1-3-16-15(13-8-9-18-10-13)11-19(17)14-6-4-12(2)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyZYHYKPMQGVMRFD-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754280
2-(4-bromophenyl)sulfinyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754586
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
CID 113449399
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
CID 64660071
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
CID 64659057
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
N'-(3,5-dimethylphenyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745779

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine (CID 104754394) is N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine is CCNC(CS(=O)c1ccc(C)cc1)C1CCOC1.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is ZYHYKPMQGVMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-16-15(13-8-9-18-10-13)11-19(17)14-6-4-12(2)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 281.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104754394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).