4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine

C19H21NO3S — CID 162411653

IUPAC4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCOCC2/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-16-7-11-19(12-8-16)24(21,22)20-13-14-23-15-18(20)10-9-17-5-3-2-4-6-17/h2-12,18H,13-15H2,1H3/b10-9+
InChIKeyQSTIGNYIGZSLDN-MDZDMXLPSA-N
MW343.45 g/mol
LogP3.10
Rot. Bonds4

About 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine

4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine (PubChem CID 162411653) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine
PubChem CID162411653
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCOCC2/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-16-7-11-19(12-8-16)24(21,22)20-13-14-23-15-18(20)10-9-17-5-3-2-4-6-17/h2-12,18H,13-15H2,1H3/b10-9+
InChIKeyQSTIGNYIGZSLDN-MDZDMXLPSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
9-(4-methylphenyl)sulfonyl-8-[(E)-2-phenylethenyl]-9-azaspiro[5.6]dodecane
CID 165177345
5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine
CID 102436377
2,3-dimethyl-4-(4-methylphenyl)sulfonyl-6-[(E)-2-phenylethenyl]morpholine
CID 175950133
(2S,3R,6S)-2,3-dimethyl-4-(4-methylphenyl)sulfonyl-6-[(E)-2-phenylethenyl]morpholine
CID 170172684
(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazinane
CID 16731482
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-(4-phenylphenyl)ethenyl]azepane
CID 165177342
(2R,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2,5-dihydropyrrole
CID 134926258
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963
(2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3-[(E)-2-phenylethenyl]aziridine
CID 15252099
(2E)-2-[1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]pyrrolidin-3-ylidene]-N,N-diphenylacetamide
CID 24767355

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine (CID 162411653) is 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine is Cc1ccc(S(=O)(=O)N2CCOCC2/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine?
The InChIKey is QSTIGNYIGZSLDN-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-16-7-11-19(12-8-16)24(21,22)20-13-14-23-15-18(20)10-9-17-5-3-2-4-6-17/h2-12,18H,13-15H2,1H3/b10-9+.
What are the key properties of 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine?
4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine has a molecular weight of 343.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine is sourced from PubChem (CID 162411653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).