3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride

C9H18ClNO2S — CID 45148608

IUPAC3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC(N2CCCCC2)C1
InChIInChI=1S/C9H17NO2S.ClH/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10;/h9H,1-8H2;1H
InChIKeyQGCUMCYUYRYKQC-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.08
Rot. Bonds1

About 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride

3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride (PubChem CID 45148608) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride
PubChem CID45148608
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC(N2CCCCC2)C1
InChIInChI=1S/C9H17NO2S.ClH/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10;/h9H,1-8H2;1H
InChIKeyQGCUMCYUYRYKQC-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Cambridge id 5232381
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CID 410105
1-[(1,1-Dioxidotetrahydro-3-thienyl)sulfonyl]-2-methylpiperidine
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3-Piperidin-1-ium-1-ylthiolane 1,1-dioxide chloride
CID 2896399
Piperidine, 1-[2-(ethylsulfonyl)ethyl]-
CID 3104333
1-(2-Methyl-1,1-dioxido-3-thietanyl)piperidine
CID 300289
(2S,3R)-3-piperidin-1-yl-2-propylthietane 1,1-dioxide
CID 21781764
3-Piperidin-1-yl-2-propylthietane 1,1-dioxide
CID 73839107
(2R,3S)-2-methyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 92856900

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride?
The IUPAC name of 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride (CID 45148608) is 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride?
The canonical SMILES for 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride is Cl.O=S1(=O)CCC(N2CCCCC2)C1.
What is the InChIKey of 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride?
The InChIKey is QGCUMCYUYRYKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S.ClH/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10;/h9H,1-8H2;1H.
What are the key properties of 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride?
3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride has a molecular weight of 239.77 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylthiolane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 45148608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).