3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline

C14H22N2O2S — CID 81190289

IUPAC3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline
SMILESCCN1CCOC(CS(=O)c2cccc(N)c2C)C1
InChIInChI=1S/C14H22N2O2S/c1-3-16-7-8-18-12(9-16)10-19(17)14-6-4-5-13(15)11(14)2/h4-6,12H,3,7-10,15H2,1-2H3
InChIKeyDCQQKYMXWMLPQI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.41
Rot. Bonds4

About 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline

3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline (PubChem CID 81190289) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline
PubChem CID81190289
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline
SMILESCCN1CCOC(CS(=O)c2cccc(N)c2C)C1
InChIInChI=1S/C14H22N2O2S/c1-3-16-7-8-18-12(9-16)10-19(17)14-6-4-5-13(15)11(14)2/h4-6,12H,3,7-10,15H2,1-2H3
InChIKeyDCQQKYMXWMLPQI-UHFFFAOYSA-N
XLogP1.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
3-ethylsulfinyl-2-methylaniline
CID 81191050
2-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinyl]aniline
CID 81191811
1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456230
3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide
CID 107873410
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
CID 81182878
2-[(4-ethylmorpholin-2-yl)methylsulfinyl]propan-1-amine
CID 81187355
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methoxybenzamide
CID 114399024
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
5-bromo-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
CID 81185212
2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline
CID 81183819
(2,3-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666423

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline (CID 81190289) is 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline is CCN1CCOC(CS(=O)c2cccc(N)c2C)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline?
The InChIKey is DCQQKYMXWMLPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16-7-8-18-12(9-16)10-19(17)14-6-4-5-13(15)11(14)2/h4-6,12H,3,7-10,15H2,1-2H3.
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline?
3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline has a molecular weight of 282.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methylsulfinyl]-2-methylaniline is sourced from PubChem (CID 81190289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).