3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine

C13H26FNO2S — CID 106735923

IUPAC3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine
SMILESCC(F)(CCS(=O)(=O)C(C)(C)C)C1CCCNC1
InChIInChI=1S/C13H26FNO2S/c1-12(2,3)18(16,17)9-7-13(4,14)11-6-5-8-15-10-11/h11,15H,5-10H2,1-4H3
InChIKeyUBHXSOQKVYUSKZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.32
Rot. Bonds4

About 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine

3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine (PubChem CID 106735923) has the molecular formula C13H26FNO2S and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine.

Molecular Properties

Compound Name3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine
PubChem CID106735923
Molecular FormulaC13H26FNO2S
Molecular Weight279.42 g/mol
Exact Mass279.17
IUPAC Name3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine
SMILESCC(F)(CCS(=O)(=O)C(C)(C)C)C1CCCNC1
InChIInChI=1S/C13H26FNO2S/c1-12(2,3)18(16,17)9-7-13(4,14)11-6-5-8-15-10-11/h11,15H,5-10H2,1-4H3
InChIKeyUBHXSOQKVYUSKZ-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine?
The IUPAC name of 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine (CID 106735923) is 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine.
What is the SMILES notation for 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine?
The canonical SMILES for 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine is CC(F)(CCS(=O)(=O)C(C)(C)C)C1CCCNC1.
What is the InChIKey of 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine?
The InChIKey is UBHXSOQKVYUSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO2S/c1-12(2,3)18(16,17)9-7-13(4,14)11-6-5-8-15-10-11/h11,15H,5-10H2,1-4H3.
What are the key properties of 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine?
3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine has a molecular weight of 279.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylsulfonyl-2-fluorobutan-2-yl)piperidine is sourced from PubChem (CID 106735923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).