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

C10H19NO3S — CID 62021749

IUPAC[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol
SMILESO=S1(=O)CCC(N2CCCCC2CO)C1
InChIInChI=1S/C10H19NO3S/c12-7-9-3-1-2-5-11(9)10-4-6-15(13,14)8-10/h9-10,12H,1-8H2
InChIKeyUVUDDDDLLGUFHR-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.02
Rot. Bonds2

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

[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol (PubChem CID 62021749) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol
PubChem CID62021749
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol
SMILESO=S1(=O)CCC(N2CCCCC2CO)C1
InChIInChI=1S/C10H19NO3S/c12-7-9-3-1-2-5-11(9)10-4-6-15(13,14)8-10/h9-10,12H,1-8H2
InChIKeyUVUDDDDLLGUFHR-UHFFFAOYSA-N
XLogP0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine
CID 63923859
3-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-2-yl]propanoic acid
CID 117028648
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
(1,1-dioxothiolan-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636225
[1-(1-methylpyrrolidin-3-yl)piperidin-2-yl]methanol
CID 83831558
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117
[1-(3-aminocyclopentyl)azepan-2-yl]methanol
CID 116640609
4-[2-(hydroxymethyl)piperidin-1-yl]azepan-2-one
CID 63887904
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43572871
[1-(thiolan-3-yl)piperidin-2-yl]methanol
CID 83831942

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol (CID 62021749) is [1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol is O=S1(=O)CCC(N2CCCCC2CO)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol?
The InChIKey is UVUDDDDLLGUFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-7-9-3-1-2-5-11(9)10-4-6-15(13,14)8-10/h9-10,12H,1-8H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol?
[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol has a molecular weight of 233.33 g/mol, XLogP of 0.02, 2 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)piperidin-2-yl]methanol is sourced from PubChem (CID 62021749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).