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

C8H16ClNO2S — CID 172623477

IUPAC3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride
SMILESC/C=C/S(=O)(=O)C1CCCNC1.Cl
InChIInChI=1S/C8H15NO2S.ClH/c1-2-6-12(10,11)8-4-3-5-9-7-8;/h2,6,8-9H,3-5,7H2,1H3;1H/b6-2+;
InChIKeyPQGMLOSOVJOUIL-LKZNWTOYSA-N
MW225.74 g/mol
LogP1.11
Rot. Bonds2

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

3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride (PubChem CID 172623477) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride
PubChem CID172623477
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride
SMILESC/C=C/S(=O)(=O)C1CCCNC1.Cl
InChIInChI=1S/C8H15NO2S.ClH/c1-2-6-12(10,11)8-4-3-5-9-7-8;/h2,6,8-9H,3-5,7H2,1H3;1H/b6-2+;
InChIKeyPQGMLOSOVJOUIL-LKZNWTOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride?
The IUPAC name of 3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride (CID 172623477) is 3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride.
What is the SMILES notation for 3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride?
The canonical SMILES for 3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride is C/C=C/S(=O)(=O)C1CCCNC1.Cl.
What is the InChIKey of 3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride?
The InChIKey is PQGMLOSOVJOUIL-LKZNWTOYSA-N. The full InChI is InChI=1S/C8H15NO2S.ClH/c1-2-6-12(10,11)8-4-3-5-9-7-8;/h2,6,8-9H,3-5,7H2,1H3;1H/b6-2+;.
What are the key properties of 3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride?
3-[(E)-prop-1-enyl]sulfonylpiperidine;hydrochloride has a molecular weight of 225.74 g/mol, XLogP of 1.11, 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;hydrochloride is sourced from PubChem (CID 172623477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).