1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone

C14H19NO4S — CID 75400479

IUPAC1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CO)c1
InChIInChI=1S/C14H19NO4S/c1-11(17)12-5-4-7-14(9-12)20(18,19)15-8-3-2-6-13(15)10-16/h4-5,7,9,13,16H,2-3,6,8,10H2,1H3/t13-/m1/s1
InChIKeyXOZYRQVREUIGJT-CYBMUJFWSA-N
MW297.38 g/mol
LogP1.42
Rot. Bonds4

About 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 75400479) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID75400479
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CO)c1
InChIInChI=1S/C14H19NO4S/c1-11(17)12-5-4-7-14(9-12)20(18,19)15-8-3-2-6-13(15)10-16/h4-5,7,9,13,16H,2-3,6,8,10H2,1H3/t13-/m1/s1
InChIKeyXOZYRQVREUIGJT-CYBMUJFWSA-N
XLogP1.42
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 83045893
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
N-(4-fluoro-3-isocyanophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 123478458
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 109065536
1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 60539561
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)phenyl]ethanone
CID 61357221
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone (CID 75400479) is 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CO)c1.
What is the InChIKey of 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is XOZYRQVREUIGJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11(17)12-5-4-7-14(9-12)20(18,19)15-8-3-2-6-13(15)10-16/h4-5,7,9,13,16H,2-3,6,8,10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 297.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 75400479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).