(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone

C19H26N2O4S — CID 51291409

IUPAC(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCO1
InChIInChI=1S/C19H26N2O4S/c1-16-15-20(12-13-25-16)19(22)18-7-10-21(11-8-18)26(23,24)14-9-17-5-3-2-4-6-17/h2-6,9,14,16,18H,7-8,10-13,15H2,1H3/b14-9+
InChIKeyYFYBZTDYLXWIQI-NTEUORMPSA-N
MW378.49 g/mol
LogP1.95
Rot. Bonds4

About (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone

(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone (PubChem CID 51291409) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
PubChem CID51291409
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCO1
InChIInChI=1S/C19H26N2O4S/c1-16-15-20(12-13-25-16)19(22)18-7-10-21(11-8-18)26(23,24)14-9-17-5-3-2-4-6-17/h2-6,9,14,16,18H,7-8,10-13,15H2,1H3/b14-9+
InChIKeyYFYBZTDYLXWIQI-NTEUORMPSA-N
XLogP1.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone with MolForge

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 60557462
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 42907208
N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
1-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811027
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 42928364
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
(2-methylmorpholin-4-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 47016285
[(2S)-2-methylmorpholin-4-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 42002042
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1190402
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 16589726

Frequently Asked Questions

What is the IUPAC name of (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone (CID 51291409) is (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone is CC1CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCO1.
What is the InChIKey of (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone?
The InChIKey is YFYBZTDYLXWIQI-NTEUORMPSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-16-15-20(12-13-25-16)19(22)18-7-10-21(11-8-18)26(23,24)14-9-17-5-3-2-4-6-17/h2-6,9,14,16,18H,7-8,10-13,15H2,1H3/b14-9+.
What are the key properties of (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone?
(2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone has a molecular weight of 378.49 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylmorpholin-4-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 51291409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).