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

C11H21NO3S — CID 62021018

IUPAC2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol
SMILESO=S1(=O)CCC(N2CCCCC2CCO)C1
InChIInChI=1S/C11H21NO3S/c13-7-4-10-3-1-2-6-12(10)11-5-8-16(14,15)9-11/h10-11,13H,1-9H2
InChIKeyTUIYYFYGSRNTBF-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.41
Rot. Bonds3

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

2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol (PubChem CID 62021018) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol
PubChem CID62021018
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol
SMILESO=S1(=O)CCC(N2CCCCC2CCO)C1
InChIInChI=1S/C11H21NO3S/c13-7-4-10-3-1-2-6-12(10)11-5-8-16(14,15)9-11/h10-11,13H,1-9H2
InChIKeyTUIYYFYGSRNTBF-UHFFFAOYSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-Hydroxyethyl)piperidin-1-yl]propane-1-sulfonic acid
CID 11976703
3-[2-(2-Methylsulfonylethyl)piperidin-1-yl]propan-1-ol
CID 53810602
6-(1,1-Dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 58283267
7-(1,1-Dioxo-1,4-thiazinan-4-yl)heptan-1-ol
CID 58283285
2-[2-(2-Hydroxyethyl)piperidin-1-yl]ethanesulfonic acid
CID 139630339
3-(3,3-Dioxo-3lambda6-thia-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
CID 170102553
[1-(1,1-Dioxothiolan-3-yl)sulfonylpiperidin-2-yl]methanol
CID 43574479
2-[1-(1,1-Dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol
CID 54878376
2-[1-(2-Methylsulfonylethylsulfonyl)piperidin-2-yl]ethanol
CID 55175243
2-[1-(3-Methylsulfonylpropyl)piperidin-2-yl]ethanol
CID 60240488
2-[1-(2-Methylsulfonylethyl)piperidin-2-yl]ethanol
CID 60585125
3-(4-Hydroxypiperidin-1-yl)tetrahydrothiophene 1,1-dioxide
CID 60669979

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol (CID 62021018) is 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol is O=S1(=O)CCC(N2CCCCC2CCO)C1.
What is the InChIKey of 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol?
The InChIKey is TUIYYFYGSRNTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-7-4-10-3-1-2-6-12(10)11-5-8-16(14,15)9-11/h10-11,13H,1-9H2.
What are the key properties of 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol?
2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol has a molecular weight of 247.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 62021018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).