3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride

C9H16ClNO2S — CID 50944456

IUPAC3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)C=CC(N2CCCCC2)C1
InChIInChI=1S/C9H15NO2S.ClH/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10;/h4,7,9H,1-3,5-6,8H2;1H
InChIKeySDRVMQHNXMXEDL-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.20
Rot. Bonds1

About 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride

3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride (PubChem CID 50944456) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride
PubChem CID50944456
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)C=CC(N2CCCCC2)C1
InChIInChI=1S/C9H15NO2S.ClH/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10;/h4,7,9H,1-3,5-6,8H2;1H
InChIKeySDRVMQHNXMXEDL-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-Dioxido-2,3-dihydrothiophen-3-yl)piperidine
CID 2831160
3-Piperidino-5-trimethylgermyl-2,3-dihydrothiophene 1,1-dioxide
CID 10615465
1-Hydroxy-4-piperidyl-4,5-dihydrothiophen-1-one
CID 3719780
4-Methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 10846361
2-Ethenyl-1-hexyl-1-(3-methylsulfonylpropyl)piperidin-1-ium
CID 91805833
(3R)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380381
(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380382
(3R)-3-(azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1413791
(3S)-3-(azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1413792
3-(Azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 5072962
(3R)-3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6983465
(3S)-3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6983466

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride?
The IUPAC name of 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride (CID 50944456) is 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride.
What is the SMILES notation for 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride?
The canonical SMILES for 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride is Cl.O=S1(=O)C=CC(N2CCCCC2)C1.
What is the InChIKey of 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride?
The InChIKey is SDRVMQHNXMXEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S.ClH/c11-13(12)7-4-9(8-13)10-5-2-1-3-6-10;/h4,7,9H,1-3,5-6,8H2;1H.
What are the key properties of 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride?
3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride has a molecular weight of 237.75 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide;hydrochloride is sourced from PubChem (CID 50944456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).