[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

C19H26N2O5S — CID 7858642

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
SMILESCC1CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H26N2O5S/c1-15-8-11-21(12-9-15)18(22)14-26-19(23)16(2)20-27(24,25)13-10-17-6-4-3-5-7-17/h3-7,10,13,15-16,20H,8-9,11-12,14H2,1-2H3/b13-10+/t16-/m0/s1
InChIKeyPIVSZXZGKAOMIO-ISBHARSQSA-N
MW394.49 g/mol
LogP1.77
Rot. Bonds7

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate (PubChem CID 7858642) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
PubChem CID7858642
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
SMILESCC1CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H26N2O5S/c1-15-8-11-21(12-9-15)18(22)14-26-19(23)16(2)20-27(24,25)13-10-17-6-4-3-5-7-17/h3-7,10,13,15-16,20H,8-9,11-12,14H2,1-2H3/b13-10+/t16-/m0/s1
InChIKeyPIVSZXZGKAOMIO-ISBHARSQSA-N
XLogP1.77
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate with MolForge

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Related Compounds

2-(4-Benzylpiperidin-1-yl)-2-oxoethyl 2-(2-phenylethenesulfonamido)acetate
CID 5990589
[(1-Phenylethyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
CID 16332908
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645852
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3411875
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4117638
methyl 1-[2-[(2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoyl]oxyacetyl]piperidine-4-carboxylate
CID 16242666
2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl 2-(2-phenylethenesulfonamido)acetate
CID 5742484
2-Oxo-2-[(propylcarbamoyl)amino]ethyl 2-(2-phenylethenesulfonamido)acetate
CID 5783061
[(1,1-Dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
CID 5742454
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16241850
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2379170
2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate
CID 2475907

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate (CID 7858642) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate is CC1CCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate?
The InChIKey is PIVSZXZGKAOMIO-ISBHARSQSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-15-8-11-21(12-9-15)18(22)14-26-19(23)16(2)20-27(24,25)13-10-17-6-4-3-5-7-17/h3-7,10,13,15-16,20H,8-9,11-12,14H2,1-2H3/b13-10+/t16-/m0/s1.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate has a molecular weight of 394.49 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate is sourced from PubChem (CID 7858642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).