2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine

C12H24FNO2S — CID 112567775

IUPAC2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine
SMILESCCCC(F)(CN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H24FNO2S/c1-3-7-12(13,9-14)10-5-4-6-11(8-10)17(2,15)16/h10-11H,3-9,14H2,1-2H3
InChIKeyLMTITSCCLVVQRA-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.06
Rot. Bonds5

About 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine

2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine (PubChem CID 112567775) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine
PubChem CID112567775
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine
SMILESCCCC(F)(CN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C12H24FNO2S/c1-3-7-12(13,9-14)10-5-4-6-11(8-10)17(2,15)16/h10-11H,3-9,14H2,1-2H3
InChIKeyLMTITSCCLVVQRA-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine?
The IUPAC name of 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine (CID 112567775) is 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine?
The canonical SMILES for 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine is CCCC(F)(CN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine?
The InChIKey is LMTITSCCLVVQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-3-7-12(13,9-14)10-5-4-6-11(8-10)17(2,15)16/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine?
2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine has a molecular weight of 265.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methylsulfonylcyclohexyl)pentan-1-amine is sourced from PubChem (CID 112567775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).