[2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine

C13H18FNOS — CID 81334271

IUPAC[2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNOS/c14-11-5-3-6-12(8-11)17(16)13-7-2-1-4-10(13)9-15/h3,5-6,8,10,13H,1-2,4,7,9,15H2
InChIKeyOIECMYVARISPOD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.45
Rot. Bonds3

About [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine

[2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine (PubChem CID 81334271) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine
PubChem CID81334271
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name[2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine
SMILESNCC1CCCCC1S(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNOS/c14-11-5-3-6-12(8-11)17(16)13-7-2-1-4-10(13)9-15/h3,5-6,8,10,13H,1-2,4,7,9,15H2
InChIKeyOIECMYVARISPOD-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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Related Compounds

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2-(2-Fluorobenzenesulfinyl)ethan-1-amine hydrochloride
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N-[2-(benzylsulfanyl)ethyl]-4-fluorobenzenesulfonamide
CID 3138895
N-(cyclohexylmethyl)-2-fluorobenzenesulfonamide
CID 3722972
cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine
CID 11962916
4-[2-(4-Fluorophenylsulphonyl)ethyl]piperidine
CID 18187751
2-(3-Fluorophenyl)-2-(4-methylsulfinylphenyl)ethanamine
CID 19361944
4-[(2-Fluorophenylsulfinyl)methyl]piperidine
CID 22248093
4-(((2-Fluorophenyl)sulfonyl)methyl)piperidine
CID 22248103
2-(4-Fluorophenyl)sulfinylethanamine
CID 58684155
3-[(4-Fluorophenyl)methylsulfinyl]propan-1-amine
CID 58684277
3-(4-Fluorophenyl)sulfinylpropan-1-amine
CID 58684769

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine?
The IUPAC name of [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine (CID 81334271) is [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine is NCC1CCCCC1S(=O)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine?
The InChIKey is OIECMYVARISPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-11-5-3-6-12(8-11)17(16)13-7-2-1-4-10(13)9-15/h3,5-6,8,10,13H,1-2,4,7,9,15H2.
What are the key properties of [2-(3-fluorophenyl)sulfinylcyclohexyl]methanamine?
[2-(3-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-(3-fluorophenyl)sulfinylcyclohexyl]methanamine is sourced from PubChem (CID 81334271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).