3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine

C11H22FNO2S — CID 106735932

IUPAC3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine
SMILESCC(C)S(=O)(=O)CCC(F)C1CCCNC1
InChIInChI=1S/C11H22FNO2S/c1-9(2)16(14,15)7-5-11(12)10-4-3-6-13-8-10/h9-11,13H,3-8H2,1-2H3
InChIKeyCQRXFTXSMHCBSR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.54
Rot. Bonds5

About 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine

3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine (PubChem CID 106735932) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine.

Molecular Properties

Compound Name3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine
PubChem CID106735932
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine
SMILESCC(C)S(=O)(=O)CCC(F)C1CCCNC1
InChIInChI=1S/C11H22FNO2S/c1-9(2)16(14,15)7-5-11(12)10-4-3-6-13-8-10/h9-11,13H,3-8H2,1-2H3
InChIKeyCQRXFTXSMHCBSR-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine?
The IUPAC name of 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine (CID 106735932) is 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine.
What is the SMILES notation for 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine?
The canonical SMILES for 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine is CC(C)S(=O)(=O)CCC(F)C1CCCNC1.
What is the InChIKey of 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine?
The InChIKey is CQRXFTXSMHCBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-9(2)16(14,15)7-5-11(12)10-4-3-6-13-8-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine?
3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine has a molecular weight of 251.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine is sourced from PubChem (CID 106735932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).