2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine

C15H22FNO2S — CID 64752698

IUPAC2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO2S/c1-10-8-11(2)15(13(9-10)17-3)20(18,19)14-7-5-4-6-12(14)16/h4-7,10-11,13,15,17H,8-9H2,1-3H3
InChIKeyOVSDJLQEZMHCLK-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine

2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64752698) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64752698
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO2S/c1-10-8-11(2)15(13(9-10)17-3)20(18,19)14-7-5-4-6-12(14)16/h4-7,10-11,13,15,17H,8-9H2,1-3H3
InChIKeyOVSDJLQEZMHCLK-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine (CID 64752698) is 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is OVSDJLQEZMHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-10-8-11(2)15(13(9-10)17-3)20(18,19)14-7-5-4-6-12(14)16/h4-7,10-11,13,15,17H,8-9H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine?
2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64752698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).