3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide

C13H23NO2S — CID 91198676

IUPAC3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide
SMILESC=CC(C)C1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H23NO2S/c1-3-11(2)12-4-7-14(8-5-12)13-6-9-17(15,16)10-13/h3,11-13H,1,4-10H2,2H3
InChIKeyZEOZFPDQUWFSDG-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.71
Rot. Bonds3

About 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide

3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide (PubChem CID 91198676) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide
PubChem CID91198676
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide
SMILESC=CC(C)C1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H23NO2S/c1-3-11(2)12-4-7-14(8-5-12)13-6-9-17(15,16)10-13/h3,11-13H,1,4-10H2,2H3
InChIKeyZEOZFPDQUWFSDG-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.71
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-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide (CID 91198676) is 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide is C=CC(C)C1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide?
The InChIKey is ZEOZFPDQUWFSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-3-11(2)12-4-7-14(8-5-12)13-6-9-17(15,16)10-13/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide?
3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide has a molecular weight of 257.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-but-3-en-2-ylpiperidin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 91198676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).