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

C15H22FNOS — CID 64735347

IUPAC2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)c1ccccc1F
InChIInChI=1S/C15H22FNOS/c1-10-8-11(2)15(13(9-10)17-3)19(18)14-7-5-4-6-12(14)16/h4-7,10-11,13,15,17H,8-9H2,1-3H3
InChIKeyZLQSOLONPCGBFY-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.96
Rot. Bonds3

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

2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64735347) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64735347
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)c1ccccc1F
InChIInChI=1S/C15H22FNOS/c1-10-8-11(2)15(13(9-10)17-3)19(18)14-7-5-4-6-12(14)16/h4-7,10-11,13,15,17H,8-9H2,1-3H3
InChIKeyZLQSOLONPCGBFY-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine (CID 64735347) is 2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1S(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is ZLQSOLONPCGBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-10-8-11(2)15(13(9-10)17-3)19(18)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)sulfinyl-N,3,5-trimethylcyclohexan-1-amine?
2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64735347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).