4-propan-2-yl-1-propylsulfonylpiperidine

C11H23NO2S — CID 20712284

IUPAC4-propan-2-yl-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H23NO2S/c1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyOFKGZPUENWKDCP-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.09
Rot. Bonds4

About 4-propan-2-yl-1-propylsulfonylpiperidine

4-propan-2-yl-1-propylsulfonylpiperidine (PubChem CID 20712284) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-propan-2-yl-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-propylsulfonylpiperidine
PubChem CID20712284
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-propan-2-yl-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H23NO2S/c1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyOFKGZPUENWKDCP-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-propylsulfonylpiperidine?
The IUPAC name of 4-propan-2-yl-1-propylsulfonylpiperidine (CID 20712284) is 4-propan-2-yl-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-propan-2-yl-1-propylsulfonylpiperidine?
The canonical SMILES for 4-propan-2-yl-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yl-1-propylsulfonylpiperidine?
The InChIKey is OFKGZPUENWKDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-propan-2-yl-1-propylsulfonylpiperidine?
4-propan-2-yl-1-propylsulfonylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-propylsulfonylpiperidine is sourced from PubChem (CID 20712284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).