[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol

C10H19NO5S2 — CID 43574479

IUPAC[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCCC2CO)C1
InChIInChI=1S/C10H19NO5S2/c12-7-9-3-1-2-5-11(9)18(15,16)10-4-6-17(13,14)8-10/h9-10,12H,1-8H2
InChIKeyCJGKOQDVDUFBBG-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.65
Rot. Bonds3

About [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol

[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol (PubChem CID 43574479) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol
PubChem CID43574479
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC Name[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCCC2CO)C1
InChIInChI=1S/C10H19NO5S2/c12-7-9-3-1-2-5-11(9)18(15,16)10-4-6-17(13,14)8-10/h9-10,12H,1-8H2
InChIKeyCJGKOQDVDUFBBG-UHFFFAOYSA-N
XLogP-0.65
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Ethylsulfonylpiperidin-2-yl)methanol
CID 43574451
4-(1-Methylpiperidin-1-ium-1-yl)-1,1-dioxothiolan-3-ol;methyl sulfate
CID 21206503
[(2R)-1-ethylsulfonylpiperidin-2-yl]methanol
CID 39241679
1-(1,1-Dioxothiolan-3-yl)sulfonylpiperidin-3-ol
CID 43502951
2-(1,1-Dioxothiolan-3-yl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43572871
(1-Propylsulfonylpiperidin-2-yl)methanol
CID 43574448
(1-Butylsulfonylpiperidin-2-yl)methanol
CID 43574450
2-[1-(1,1-Dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol
CID 54878376
(1-Propan-2-ylsulfonylpiperidin-2-yl)methanol
CID 60864946
[1-(2-Methylsulfonylethyl)piperidin-2-yl]methanol
CID 60967180
[1-(1,1-Dioxothiolan-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61408711
4-[Methyl(oxan-2-ylmethyl)amino]-1,1-dioxothiolan-3-ol
CID 61431833

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol (CID 43574479) is [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol is O=S1(=O)CCC(S(=O)(=O)N2CCCCC2CO)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is CJGKOQDVDUFBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c12-7-9-3-1-2-5-11(9)18(15,16)10-4-6-17(13,14)8-10/h9-10,12H,1-8H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol?
[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 297.40 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 43574479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).