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

C11H19NO2S — CID 21179757

IUPAC3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCCC(C)N1C1C=CS(=O)(=O)C1
InChIInChI=1S/C11H19NO2S/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
InChIKeyHNELVZBEZNVYJT-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.56
Rot. Bonds1

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

3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 21179757) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID21179757
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCCC(C)N1C1C=CS(=O)(=O)C1
InChIInChI=1S/C11H19NO2S/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
InChIKeyHNELVZBEZNVYJT-UHFFFAOYSA-N
XLogP1.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.56
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?
The IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (CID 21179757) is 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is CC1CCCC(C)N1C1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is HNELVZBEZNVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/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.
What are the key properties of 3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
3-(2,6-dimethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 229.34 g/mol, XLogP of 1.56, 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 is sourced from PubChem (CID 21179757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).