3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine

C12H24FNO2S — CID 106735930

IUPAC3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine
SMILESCC(C)(C)S(=O)(=O)CCC(F)C1CCCNC1
InChIInChI=1S/C12H24FNO2S/c1-12(2,3)17(15,16)8-6-11(13)10-5-4-7-14-9-10/h10-11,14H,4-9H2,1-3H3
InChIKeyHLHRDIUTHLMAKR-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.93
Rot. Bonds4

About 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine

3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine (PubChem CID 106735930) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine.

Molecular Properties

Compound Name3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine
PubChem CID106735930
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine
SMILESCC(C)(C)S(=O)(=O)CCC(F)C1CCCNC1
InChIInChI=1S/C12H24FNO2S/c1-12(2,3)17(15,16)8-6-11(13)10-5-4-7-14-9-10/h10-11,14H,4-9H2,1-3H3
InChIKeyHLHRDIUTHLMAKR-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine?
The IUPAC name of 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine (CID 106735930) is 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine.
What is the SMILES notation for 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine?
The canonical SMILES for 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine is CC(C)(C)S(=O)(=O)CCC(F)C1CCCNC1.
What is the InChIKey of 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine?
The InChIKey is HLHRDIUTHLMAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-12(2,3)17(15,16)8-6-11(13)10-5-4-7-14-9-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine?
3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine has a molecular weight of 265.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylsulfonyl-1-fluoropropyl)piperidine is sourced from PubChem (CID 106735930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).