1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol

C11H21NO3S — CID 117019937

IUPAC1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol
SMILESCC1(C)CC(O)CCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-11(2)7-10(13)3-5-12(11)9-4-6-16(14,15)8-9/h9-10,13H,3-8H2,1-2H3
InChIKeyZPXFEICHOQWXSE-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.41
Rot. Bonds1

About 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol

1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol (PubChem CID 117019937) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol
PubChem CID117019937
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol
SMILESCC1(C)CC(O)CCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-11(2)7-10(13)3-5-12(11)9-4-6-16(14,15)8-9/h9-10,13H,3-8H2,1-2H3
InChIKeyZPXFEICHOQWXSE-UHFFFAOYSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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

(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
CID 107226058
1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one
CID 117019113
[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019706
1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one
CID 117013989
1-(1,1-dioxothiolan-3-yl)-6,6-dimethylpiperidine-3-carbonitrile
CID 117021160
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587
(3R)-3-morpholin-4-ylthiolane 1,1-dioxide
CID 7072045
1-(1,1-dioxothiolan-3-yl)-4-methylpiperazine-2,3-dione
CID 117026380
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 66203857
2,2-dimethyl-1-methylsulfonylpiperidin-4-ol
CID 83702080
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
CID 78981307

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol (CID 117019937) is 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol is CC1(C)CC(O)CCN1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol?
The InChIKey is ZPXFEICHOQWXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2)7-10(13)3-5-12(11)9-4-6-16(14,15)8-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol?
1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol has a molecular weight of 247.36 g/mol, XLogP of 0.41, 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)-2,2-dimethylpiperidin-4-ol is sourced from PubChem (CID 117019937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).