3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride

C11H19ClNO2S- — CID 21179756

IUPAC3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
SMILESCC1CCCC(C)N1C1C=CS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C11H19NO2S.ClH/c1-9-4-3-5-10(2)12(9)11-6-7-15(13,14)8-11;/h6-7,9-11H,3-5,8H2,1-2H3;1H/p-1
InChIKeyCEEGSWGSJNIGSS-UHFFFAOYSA-M
MW264.80 g/mol
LogP-1.44
Rot. Bonds1

About 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride

3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride (PubChem CID 21179756) has the molecular formula C11H19ClNO2S- and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
PubChem CID21179756
Molecular FormulaC11H19ClNO2S-
Molecular Weight264.80 g/mol
Exact Mass264.08
IUPAC Name3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
SMILESCC1CCCC(C)N1C1C=CS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C11H19NO2S.ClH/c1-9-4-3-5-10(2)12(9)11-6-7-15(13,14)8-11;/h6-7,9-11H,3-5,8H2,1-2H3;1H/p-1
InChIKeyCEEGSWGSJNIGSS-UHFFFAOYSA-M
XLogP-1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
The IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride (CID 21179756) is 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
The canonical SMILES for 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride is CC1CCCC(C)N1C1C=CS(=O)(=O)C1.[Cl-].
What is the InChIKey of 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
The InChIKey is CEEGSWGSJNIGSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19NO2S.ClH/c1-9-4-3-5-10(2)12(9)11-6-7-15(13,14)8-11;/h6-7,9-11H,3-5,8H2,1-2H3;1H/p-1.
What are the key properties of 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride has a molecular weight of 264.80 g/mol, XLogP of -1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride is sourced from PubChem (CID 21179756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).