3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride

C9H16ClNO2S — CID 21206260

IUPAC3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride
SMILESO=S1(=O)C=CC([NH+]2CCCCC2)C1.[Cl-]
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
LogP-3.63
Rot. Bonds1

About 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride

3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride (PubChem CID 21206260) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride.

Molecular Properties

Compound Name3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride
PubChem CID21206260
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC Name3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride
SMILESO=S1(=O)C=CC([NH+]2CCCCC2)C1.[Cl-]
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
XLogP-3.63
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 5-3.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride?
The IUPAC name of 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride (CID 21206260) is 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride.
What is the SMILES notation for 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride?
The canonical SMILES for 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride is O=S1(=O)C=CC([NH+]2CCCCC2)C1.[Cl-].
What is the InChIKey of 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride?
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-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride?
3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride has a molecular weight of 237.75 g/mol, XLogP of -3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide chloride is sourced from PubChem (CID 21206260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).