4-propylsulfonylpiperidine

C8H17NO2S — CID 54059246

IUPAC4-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C8H17NO2S/c1-2-7-12(10,11)8-3-5-9-6-4-8/h8-9H,2-7H2,1H3
InChIKeyDKTSBKXVRSABTM-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds3

About 4-propylsulfonylpiperidine

4-propylsulfonylpiperidine (PubChem CID 54059246) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-propylsulfonylpiperidine
PubChem CID54059246
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C8H17NO2S/c1-2-7-12(10,11)8-3-5-9-6-4-8/h8-9H,2-7H2,1H3
InChIKeyDKTSBKXVRSABTM-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonylpiperidine?
The IUPAC name of 4-propylsulfonylpiperidine (CID 54059246) is 4-propylsulfonylpiperidine.
What is the SMILES notation for 4-propylsulfonylpiperidine?
The canonical SMILES for 4-propylsulfonylpiperidine is CCCS(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-propylsulfonylpiperidine?
The InChIKey is DKTSBKXVRSABTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-7-12(10,11)8-3-5-9-6-4-8/h8-9H,2-7H2,1H3.
What are the key properties of 4-propylsulfonylpiperidine?
4-propylsulfonylpiperidine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonylpiperidine is sourced from PubChem (CID 54059246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).