ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one

C14H19NO4S — CID 67569957

IUPACethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
SMILESC=C.COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C12H15NO4S.C2H4/c1-17-11-2-4-12(5-3-11)18(15,16)13-8-6-10(14)7-9-13;1-2/h2-5H,6-9H2,1H3;1-2H2
InChIKeyYPFJSPGTCIBTTM-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.85
Rot. Bonds3

About ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one

ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one (PubChem CID 67569957) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Nameethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
PubChem CID67569957
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
SMILESC=C.COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C12H15NO4S.C2H4/c1-17-11-2-4-12(5-3-11)18(15,16)13-8-6-10(14)7-9-13;1-2/h2-5H,6-9H2,1H3;1-2H2
InChIKeyYPFJSPGTCIBTTM-UHFFFAOYSA-N
XLogP1.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3-methyl-1,3-diazinan-4-one
CID 174756924
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-one
CID 69088398
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311

Frequently Asked Questions

What is the IUPAC name of ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one?
The IUPAC name of ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one (CID 67569957) is ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one?
The canonical SMILES for ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one is C=C.COc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one?
The InChIKey is YPFJSPGTCIBTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S.C2H4/c1-17-11-2-4-12(5-3-11)18(15,16)13-8-6-10(14)7-9-13;1-2/h2-5H,6-9H2,1H3;1-2H2.
What are the key properties of ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one?
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one has a molecular weight of 297.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 67569957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).