1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one

C9H15NO4S — CID 117013989

IUPAC1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one
SMILESO=C1CC(O)CCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C9H15NO4S/c11-8-1-3-10(9(12)5-8)7-2-4-15(13,14)6-7/h7-8,11H,1-6H2
InChIKeyWWCQNHLNGRNCFR-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.84
Rot. Bonds1

About 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one

1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one (PubChem CID 117013989) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one
PubChem CID117013989
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one
SMILESO=C1CC(O)CCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C9H15NO4S/c11-8-1-3-10(9(12)5-8)7-2-4-15(13,14)6-7/h7-8,11H,1-6H2
InChIKeyWWCQNHLNGRNCFR-UHFFFAOYSA-N
XLogP-0.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)pyrrolidine-2,4-dione
CID 79517072
1-(1-tert-butylpiperidin-4-yl)-4-hydroxypiperidin-2-one
CID 118531604
1-(1,1-dioxothiolan-3-yl)-4-methylpiperazine-2,3-dione
CID 117026380
8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739939
1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol
CID 117019937
(3R)-N,N-dibenzyl-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 97015464
(8R,9aS)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 172908007
(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
CID 107226058
1-(1,1-dioxothian-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43614759
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 35439776
6-(2-aminoethyl)-3-(1,1-dioxothiolan-3-yl)-1,3-oxazinan-2-one
CID 117010986
(3R)-N-(2-cyclopentylethyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 94022696

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one (CID 117013989) is 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one is O=C1CC(O)CCN1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one?
The InChIKey is WWCQNHLNGRNCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c11-8-1-3-10(9(12)5-8)7-2-4-15(13,14)6-7/h7-8,11H,1-6H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one?
1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one has a molecular weight of 233.29 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one is sourced from PubChem (CID 117013989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).