ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one

C14H21NO4S — CID 143985284

IUPACethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
SMILESCC.COc1cccc(S(=O)(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C12H15NO4S.C2H6/c1-17-11-3-2-4-12(9-11)18(15,16)13-7-5-10(14)6-8-13;1-2/h2-4,9H,5-8H2,1H3;1-2H3
InChIKeyCXDVWUDBHGAXEO-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.08
Rot. Bonds3

About ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one

ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one (PubChem CID 143985284) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Nameethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
PubChem CID143985284
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Nameethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
SMILESCC.COc1cccc(S(=O)(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C12H15NO4S.C2H6/c1-17-11-3-2-4-12(9-11)18(15,16)13-7-5-10(14)6-8-13;1-2/h2-4,9H,5-8H2,1H3;1-2H3
InChIKeyCXDVWUDBHGAXEO-UHFFFAOYSA-N
XLogP2.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
1-butyl-4-(3-methoxyphenyl)sulfonylpiperazine
CID 91824001
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
CID 163316787
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
2-ethyl-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110818097
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one?
The IUPAC name of ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one (CID 143985284) is ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one?
The canonical SMILES for ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one is CC.COc1cccc(S(=O)(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one?
The InChIKey is CXDVWUDBHGAXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S.C2H6/c1-17-11-3-2-4-12(9-11)18(15,16)13-7-5-10(14)6-8-13;1-2/h2-4,9H,5-8H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one?
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one has a molecular weight of 299.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 143985284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).