4-propylsulfonylpiperidine;hydrochloride

C8H18ClNO2S — CID 66686902

IUPAC4-propylsulfonylpiperidine;hydrochloride
SMILESCCCS(=O)(=O)C1CCNCC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-2-7-12(10,11)8-3-5-9-6-4-8;/h8-9H,2-7H2,1H3;1H
InChIKeySHQRCWFMJCGPHH-UHFFFAOYSA-N
MW227.76 g/mol
LogP0.99
Rot. Bonds3

About 4-propylsulfonylpiperidine;hydrochloride

4-propylsulfonylpiperidine;hydrochloride (PubChem CID 66686902) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 4-propylsulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-propylsulfonylpiperidine;hydrochloride
PubChem CID66686902
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name4-propylsulfonylpiperidine;hydrochloride
SMILESCCCS(=O)(=O)C1CCNCC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-2-7-12(10,11)8-3-5-9-6-4-8;/h8-9H,2-7H2,1H3;1H
InChIKeySHQRCWFMJCGPHH-UHFFFAOYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonylpiperidine;hydrochloride?
The IUPAC name of 4-propylsulfonylpiperidine;hydrochloride (CID 66686902) is 4-propylsulfonylpiperidine;hydrochloride.
What is the SMILES notation for 4-propylsulfonylpiperidine;hydrochloride?
The canonical SMILES for 4-propylsulfonylpiperidine;hydrochloride is CCCS(=O)(=O)C1CCNCC1.Cl.
What is the InChIKey of 4-propylsulfonylpiperidine;hydrochloride?
The InChIKey is SHQRCWFMJCGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-2-7-12(10,11)8-3-5-9-6-4-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 4-propylsulfonylpiperidine;hydrochloride?
4-propylsulfonylpiperidine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonylpiperidine;hydrochloride is sourced from PubChem (CID 66686902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).