1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid

C15H18N2O5S — CID 22750857

IUPAC1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NS(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H18N2O5S/c18-14(19)13-6-9-17(10-7-13)15(20)16-23(21,22)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,16,20)(H,18,19)/b11-8+
InChIKeyHSNWFDFWUNZNOJ-DHZHZOJOSA-N
MW338.38 g/mol
LogP1.49
Rot. Bonds4

About 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid

1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 22750857) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID22750857
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NS(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H18N2O5S/c18-14(19)13-6-9-17(10-7-13)15(20)16-23(21,22)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,16,20)(H,18,19)/b11-8+
InChIKeyHSNWFDFWUNZNOJ-DHZHZOJOSA-N
XLogP1.49
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide
CID 22750837
[(E)-2-phenylethenyl]sulfonylurea
CID 22750927
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide
CID 54315411
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
CID 75194953
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 60557462
1-(3-oxo-3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 110465914
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
1-[(E)-5-phenylpent-4-enoyl]piperidine-4-carboxamide
CID 119137406
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826987
(E)-N-[4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]-2-phenylethenesulfonamide
CID 9164284
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid (CID 22750857) is 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NS(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is HSNWFDFWUNZNOJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H18N2O5S/c18-14(19)13-6-9-17(10-7-13)15(20)16-23(21,22)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,16,20)(H,18,19)/b11-8+.
What are the key properties of 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid?
1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 22750857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).