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

C11H21NO5S2 — CID 54878376

IUPAC2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCCC2CCO)C1
InChIInChI=1S/C11H21NO5S2/c13-7-4-10-3-1-2-6-12(10)19(16,17)11-5-8-18(14,15)9-11/h10-11,13H,1-9H2
InChIKeyOMMGOXSBAYNFJZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.26
Rot. Bonds4

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

2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 54878376) has the molecular formula C11H21NO5S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol
PubChem CID54878376
Molecular FormulaC11H21NO5S2
Molecular Weight311.43 g/mol
Exact Mass311.09
IUPAC Name2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol
SMILESO=S1(=O)CCC(S(=O)(=O)N2CCCCC2CCO)C1
InChIInChI=1S/C11H21NO5S2/c13-7-4-10-3-1-2-6-12(10)19(16,17)11-5-8-18(14,15)9-11/h10-11,13H,1-9H2
InChIKeyOMMGOXSBAYNFJZ-UHFFFAOYSA-N
XLogP-0.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol (CID 54878376) is 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol is O=S1(=O)CCC(S(=O)(=O)N2CCCCC2CCO)C1.
What is the InChIKey of 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is OMMGOXSBAYNFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S2/c13-7-4-10-3-1-2-6-12(10)19(16,17)11-5-8-18(14,15)9-11/h10-11,13H,1-9H2.
What are the key properties of 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 311.43 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 54878376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).