[4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine

C13H18N2O3S — CID 114398466

IUPAC[4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1
InChIInChI=1S/C13H18N2O3S/c14-10-13-11-15(7-8-18-13)19(16,17)9-6-12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11,14H2/b9-6+
InChIKeyWYRVXTDIZRHRJE-RMKNXTFCSA-N
MW282.36 g/mol
LogP0.65
Rot. Bonds4

About [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine

[4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine (PubChem CID 114398466) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine
PubChem CID114398466
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name[4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1
InChIInChI=1S/C13H18N2O3S/c14-10-13-11-15(7-8-18-13)19(16,17)9-6-12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11,14H2/b9-6+
InChIKeyWYRVXTDIZRHRJE-RMKNXTFCSA-N
XLogP0.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
(2S)-4-(2-methylpropyl)-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]morpholin-4-ium
CID 9036682
1-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]azepane
CID 86900562
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398416
(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 51291409
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178824
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8689395
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine (CID 114398466) is [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine is NCC1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1.
What is the InChIKey of [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine?
The InChIKey is WYRVXTDIZRHRJE-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-10-13-11-15(7-8-18-13)19(16,17)9-6-12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11,14H2/b9-6+.
What are the key properties of [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine?
[4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine has a molecular weight of 282.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114398466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).