1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine

C13H19BrN2O3S — CID 115315337

IUPAC1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCOC(C(C)N)C2)c(Br)c1
InChIInChI=1S/C13H19BrN2O3S/c1-9-3-4-13(11(14)7-9)20(17,18)16-5-6-19-12(8-16)10(2)15/h3-4,7,10,12H,5-6,8,15H2,1-2H3
InChIKeyMFYDLTRZOAGZOJ-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.49
Rot. Bonds3

About 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine

1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine (PubChem CID 115315337) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine
PubChem CID115315337
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine
SMILESCc1ccc(S(=O)(=O)N2CCOC(C(C)N)C2)c(Br)c1
InChIInChI=1S/C13H19BrN2O3S/c1-9-3-4-13(11(14)7-9)20(17,18)16-5-6-19-12(8-16)10(2)15/h3-4,7,10,12H,5-6,8,15H2,1-2H3
InChIKeyMFYDLTRZOAGZOJ-UHFFFAOYSA-N
XLogP1.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine
CID 99852857
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935
4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 47257439
1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine
CID 115315246
2-(1-aminoethyl)-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 114816233
2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile
CID 115315299
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine
CID 103302658
2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 115315266
1-(2-bromo-4-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62924342
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
1-[1-(2-bromo-4-chlorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 120710836

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine (CID 115315337) is 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine is Cc1ccc(S(=O)(=O)N2CCOC(C(C)N)C2)c(Br)c1.
What is the InChIKey of 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine?
The InChIKey is MFYDLTRZOAGZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-9-3-4-13(11(14)7-9)20(17,18)16-5-6-19-12(8-16)10(2)15/h3-4,7,10,12H,5-6,8,15H2,1-2H3.
What are the key properties of 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine?
1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine has a molecular weight of 363.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine is sourced from PubChem (CID 115315337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).