[2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine

C13H18FNOS — CID 81329418

IUPAC[2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c14-11-6-2-4-8-13(11)17(16)12-7-3-1-5-10(12)9-15/h2,4,6,8,10,12H,1,3,5,7,9,15H2
InChIKeyGVNCSHOMAWAKTM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.45
Rot. Bonds3

About [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine

[2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine (PubChem CID 81329418) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine
PubChem CID81329418
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name[2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c14-11-6-2-4-8-13(11)17(16)12-7-3-1-5-10(12)9-15/h2,4,6,8,10,12H,1,3,5,7,9,15H2
InChIKeyGVNCSHOMAWAKTM-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine?
The IUPAC name of [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine (CID 81329418) is [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine is NCC1CCCCC1S(=O)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine?
The InChIKey is GVNCSHOMAWAKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-11-6-2-4-8-13(11)17(16)12-7-3-1-5-10(12)9-15/h2,4,6,8,10,12H,1,3,5,7,9,15H2.
What are the key properties of [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine?
[2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)sulfinylcyclohexyl]methanamine is sourced from PubChem (CID 81329418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).