2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine

C16H26N2O3S — CID 51119420

IUPAC2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCS(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H26N2O3S/c1-13-5-4-6-16(9-13)10-17-7-8-22(19,20)18-11-14(2)21-15(3)12-18/h4-6,9,14-15,17H,7-8,10-12H2,1-3H3
InChIKeyPERYKHIGPJLVSX-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.52
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine

2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 51119420) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID51119420
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCS(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H26N2O3S/c1-13-5-4-6-16(9-13)10-17-7-8-22(19,20)18-11-14(2)21-15(3)12-18/h4-6,9,14-15,17H,7-8,10-12H2,1-3H3
InChIKeyPERYKHIGPJLVSX-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
N-[(4-chloro-3-nitrophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)sulfonylethanamine
CID 55824776
2-ethylsulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 60902906
[5-[[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]methyl]furan-2-yl]methanol
CID 56807009
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 86808826
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
N-[(3-methylphenyl)methyl]-2-propylsulfonylethanamine
CID 106723289
N-[(3-methylphenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723290
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine
CID 95177772
3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345563
N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43747948

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine (CID 51119420) is 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNCCS(=O)(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is PERYKHIGPJLVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-5-4-6-16(9-13)10-17-7-8-22(19,20)18-11-14(2)21-15(3)12-18/h4-6,9,14-15,17H,7-8,10-12H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine?
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 326.46 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 51119420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).