2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine

C13H24FNO2S — CID 106635090

IUPAC2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine
SMILESCS(=O)(=O)C1CCCC(C(F)C2CCCCN2)C1
InChIInChI=1S/C13H24FNO2S/c1-18(16,17)11-6-4-5-10(9-11)13(14)12-7-2-3-8-15-12/h10-13,15H,2-9H2,1H3
InChIKeyKSLMXSMYHHVUHY-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.07
Rot. Bonds3

About 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine

2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine (PubChem CID 106635090) has the molecular formula C13H24FNO2S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine.

Molecular Properties

Compound Name2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine
PubChem CID106635090
Molecular FormulaC13H24FNO2S
Molecular Weight277.40 g/mol
Exact Mass277.15
IUPAC Name2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine
SMILESCS(=O)(=O)C1CCCC(C(F)C2CCCCN2)C1
InChIInChI=1S/C13H24FNO2S/c1-18(16,17)11-6-4-5-10(9-11)13(14)12-7-2-3-8-15-12/h10-13,15H,2-9H2,1H3
InChIKeyKSLMXSMYHHVUHY-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine?
The IUPAC name of 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine (CID 106635090) is 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine.
What is the SMILES notation for 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine?
The canonical SMILES for 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine is CS(=O)(=O)C1CCCC(C(F)C2CCCCN2)C1.
What is the InChIKey of 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine?
The InChIKey is KSLMXSMYHHVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2S/c1-18(16,17)11-6-4-5-10(9-11)13(14)12-7-2-3-8-15-12/h10-13,15H,2-9H2,1H3.
What are the key properties of 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine?
2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine has a molecular weight of 277.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]piperidine is sourced from PubChem (CID 106635090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).