2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline

C14H22N2O3S — CID 81183819

IUPAC2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline
SMILESCCN1CCOC(CS(=O)(=O)c2cc(C)ccc2N)C1
InChIInChI=1S/C14H22N2O3S/c1-3-16-6-7-19-12(9-16)10-20(17,18)14-8-11(2)4-5-13(14)15/h4-5,8,12H,3,6-7,9-10,15H2,1-2H3
InChIKeyMEHQMDMZRROEMG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.07
Rot. Bonds4

About 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline

2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline (PubChem CID 81183819) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline
PubChem CID81183819
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline
SMILESCCN1CCOC(CS(=O)(=O)c2cc(C)ccc2N)C1
InChIInChI=1S/C14H22N2O3S/c1-3-16-6-7-19-12(9-16)10-20(17,18)14-8-11(2)4-5-13(14)15/h4-5,8,12H,3,6-7,9-10,15H2,1-2H3
InChIKeyMEHQMDMZRROEMG-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid
CID 114400372
2,4-diethylmorpholine
CID 58988021
5-methyl-2-(oxolan-2-ylmethylsulfonyl)aniline
CID 81180714
2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 64532962
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 81191559
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
1-(2,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562608
5-[(4-ethylmorpholin-2-yl)methoxy]-2-methylaniline
CID 114252444
3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 79172319
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol
CID 104583926
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline (CID 81183819) is 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline is CCN1CCOC(CS(=O)(=O)c2cc(C)ccc2N)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline?
The InChIKey is MEHQMDMZRROEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16-6-7-19-12(9-16)10-20(17,18)14-8-11(2)4-5-13(14)15/h4-5,8,12H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline?
2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline has a molecular weight of 298.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methylsulfonyl]-4-methylaniline is sourced from PubChem (CID 81183819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).