1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone

C11H20NOS+ — CID 23534991

IUPAC1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone
SMILESO=C(C[S+]1CCCC1)N1CCCCC1
InChIInChI=1S/C11H20NOS/c13-11(10-14-8-4-5-9-14)12-6-2-1-3-7-12/h1-10H2/q+1
InChIKeyVABIISKNTIMGID-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.41
Rot. Bonds2

About 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone

1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone (PubChem CID 23534991) has the molecular formula C11H20NOS+ and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone
PubChem CID23534991
Molecular FormulaC11H20NOS+
Molecular Weight214.35 g/mol
Exact Mass214.13
IUPAC Name1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone
SMILESO=C(C[S+]1CCCC1)N1CCCCC1
InChIInChI=1S/C11H20NOS/c13-11(10-14-8-4-5-9-14)12-6-2-1-3-7-12/h1-10H2/q+1
InChIKeyVABIISKNTIMGID-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

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methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
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2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
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1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
ethene;1-pyrrolidin-1-ylpropan-1-one
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1,12-bis(azonan-1-yl)dodecane-1,12-dione
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(2-oxo-2-pyrrolidin-1-ylethyl)azanium
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CID 137316024

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone (CID 23534991) is 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone is O=C(C[S+]1CCCC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone?
The InChIKey is VABIISKNTIMGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NOS/c13-11(10-14-8-4-5-9-14)12-6-2-1-3-7-12/h1-10H2/q+1.
What are the key properties of 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone?
1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone has a molecular weight of 214.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone is sourced from PubChem (CID 23534991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).