3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide

C17H29NO2S — CID 135120883

IUPAC3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide
SMILESC=CCC1(CC=C)CCCCN1CCC1CCS(=O)(=O)C1
InChIInChI=1S/C17H29NO2S/c1-3-9-17(10-4-2)11-5-6-12-18(17)13-7-16-8-14-21(19,20)15-16/h3-4,16H,1-2,5-15H2
InChIKeySSBCHPWCIHDYFZ-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.19
Rot. Bonds7

About 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide

3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide (PubChem CID 135120883) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide
PubChem CID135120883
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide
SMILESC=CCC1(CC=C)CCCCN1CCC1CCS(=O)(=O)C1
InChIInChI=1S/C17H29NO2S/c1-3-9-17(10-4-2)11-5-6-12-18(17)13-7-16-8-14-21(19,20)15-16/h3-4,16H,1-2,5-15H2
InChIKeySSBCHPWCIHDYFZ-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.19
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-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide (CID 135120883) is 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide is C=CCC1(CC=C)CCCCN1CCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide?
The InChIKey is SSBCHPWCIHDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-3-9-17(10-4-2)11-5-6-12-18(17)13-7-16-8-14-21(19,20)15-16/h3-4,16H,1-2,5-15H2.
What are the key properties of 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide?
3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide has a molecular weight of 311.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 135120883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).