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

C11H22FNO2S — CID 112565994

IUPAC2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine
SMILESCCC(F)(CN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C11H22FNO2S/c1-3-11(12,8-13)9-5-4-6-10(7-9)16(2,14)15/h9-10H,3-8,13H2,1-2H3
InChIKeyOTSRXXASKOIQJX-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.67
Rot. Bonds4

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

2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine (PubChem CID 112565994) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine
PubChem CID112565994
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine
SMILESCCC(F)(CN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C11H22FNO2S/c1-3-11(12,8-13)9-5-4-6-10(7-9)16(2,14)15/h9-10H,3-8,13H2,1-2H3
InChIKeyOTSRXXASKOIQJX-UHFFFAOYSA-N
XLogP1.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.67
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)butan-1-amine?
The IUPAC name of 2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine (CID 112565994) is 2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine is CCC(F)(CN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine?
The InChIKey is OTSRXXASKOIQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-3-11(12,8-13)9-5-4-6-10(7-9)16(2,14)15/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine?
2-fluoro-2-(3-methylsulfonylcyclohexyl)butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.67, 4 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)butan-1-amine is sourced from PubChem (CID 112565994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).