3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide

C10H17NO2S — CID 10846360

IUPAC3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)CC=C(CN2CCCCC2)C1
InChIInChI=1S/C10H17NO2S/c12-14(13)7-4-10(9-14)8-11-5-2-1-3-6-11/h4H,1-3,5-9H2
InChIKeyJKSXFJROFFCECJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.83
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide

3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 10846360) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide
PubChem CID10846360
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)CC=C(CN2CCCCC2)C1
InChIInChI=1S/C10H17NO2S/c12-14(13)7-4-10(9-14)8-11-5-2-1-3-6-11/h4H,1-3,5-9H2
InChIKeyJKSXFJROFFCECJ-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide (CID 10846360) is 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide is O=S1(=O)CC=C(CN2CCCCC2)C1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is JKSXFJROFFCECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-14(13)7-4-10(9-14)8-11-5-2-1-3-6-11/h4H,1-3,5-9H2.
What are the key properties of 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide?
3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 10846360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).