1-(2-methylsulfonylethyl)-4-propylpiperidine

C11H23NO2S — CID 20767699

IUPAC1-(2-methylsulfonylethyl)-4-propylpiperidine
SMILESCCCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-3-4-11-5-7-12(8-6-11)9-10-15(2,13)14/h11H,3-10H2,1-2H3
InChIKeyCFTSWGXADDCBSZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.54
Rot. Bonds5

About 1-(2-methylsulfonylethyl)-4-propylpiperidine

1-(2-methylsulfonylethyl)-4-propylpiperidine (PubChem CID 20767699) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-propylpiperidine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-propylpiperidine
PubChem CID20767699
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(2-methylsulfonylethyl)-4-propylpiperidine
SMILESCCCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-3-4-11-5-7-12(8-6-11)9-10-15(2,13)14/h11H,3-10H2,1-2H3
InChIKeyCFTSWGXADDCBSZ-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-propylpiperidine?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-propylpiperidine (CID 20767699) is 1-(2-methylsulfonylethyl)-4-propylpiperidine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-propylpiperidine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-propylpiperidine is CCCC1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-propylpiperidine?
The InChIKey is CFTSWGXADDCBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-4-11-5-7-12(8-6-11)9-10-15(2,13)14/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-propylpiperidine?
1-(2-methylsulfonylethyl)-4-propylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-propylpiperidine is sourced from PubChem (CID 20767699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).