3-[(E)-prop-1-enyl]sulfonylpiperidine

C8H15NO2S — CID 172623478

IUPAC3-[(E)-prop-1-enyl]sulfonylpiperidine
SMILESC/C=C/S(=O)(=O)C1CCCNC1
InChIInChI=1S/C8H15NO2S/c1-2-6-12(10,11)8-4-3-5-9-7-8/h2,6,8-9H,3-5,7H2,1H3/b6-2+
InChIKeyXPLOSEQTJBIIRL-QHHAFSJGSA-N
MW189.28 g/mol
LogP0.69
Rot. Bonds2

About 3-[(E)-prop-1-enyl]sulfonylpiperidine

3-[(E)-prop-1-enyl]sulfonylpiperidine (PubChem CID 172623478) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]sulfonylpiperidine.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]sulfonylpiperidine
PubChem CID172623478
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name3-[(E)-prop-1-enyl]sulfonylpiperidine
SMILESC/C=C/S(=O)(=O)C1CCCNC1
InChIInChI=1S/C8H15NO2S/c1-2-6-12(10,11)8-4-3-5-9-7-8/h2,6,8-9H,3-5,7H2,1H3/b6-2+
InChIKeyXPLOSEQTJBIIRL-QHHAFSJGSA-N
XLogP0.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonylpiperidine
CID 22275823
4-(Methanesulfonyl)piperidine
CID 22275038
4-Fluoro-4-prop-2-enylsulfonylpiperidine
CID 174484754
4-Ethenylsulfonylpiperidine
CID 19797806
(S)-3-(Methylsulfonyl)piperidine
CID 28200983
4-Prop-2-enylsulfonylpiperidine
CID 82181327
4-Methylsulfonylpiperidin-1-ium
CID 86318820
3-(Vinylsulfonyl)piperidine
CID 167122256
3-Methylsulfonylpiperidin-1-ium
CID 167468794
3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride
CID 172623477
3-[(E)-prop-1-enyl]sulfanylpiperidine
CID 172623859
Chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine
CID 174555360

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]sulfonylpiperidine?
The IUPAC name of 3-[(E)-prop-1-enyl]sulfonylpiperidine (CID 172623478) is 3-[(E)-prop-1-enyl]sulfonylpiperidine.
What is the SMILES notation for 3-[(E)-prop-1-enyl]sulfonylpiperidine?
The canonical SMILES for 3-[(E)-prop-1-enyl]sulfonylpiperidine is C/C=C/S(=O)(=O)C1CCCNC1.
What is the InChIKey of 3-[(E)-prop-1-enyl]sulfonylpiperidine?
The InChIKey is XPLOSEQTJBIIRL-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-6-12(10,11)8-4-3-5-9-7-8/h2,6,8-9H,3-5,7H2,1H3/b6-2+.
What are the key properties of 3-[(E)-prop-1-enyl]sulfonylpiperidine?
3-[(E)-prop-1-enyl]sulfonylpiperidine has a molecular weight of 189.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]sulfonylpiperidine is sourced from PubChem (CID 172623478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).