N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine

C13H18FNOS — CID 63100219

IUPACN-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine
SMILESFc1ccc(SCCNC2CCOCC2)cc1
InChIInChI=1S/C13H18FNOS/c14-11-1-3-13(4-2-11)17-10-7-15-12-5-8-16-9-6-12/h1-4,12,15H,5-10H2
InChIKeySXOMVCHCWIQKAM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine

N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine (PubChem CID 63100219) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine
PubChem CID63100219
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC NameN-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine
SMILESFc1ccc(SCCNC2CCOCC2)cc1
InChIInChI=1S/C13H18FNOS/c14-11-1-3-13(4-2-11)17-10-7-15-12-5-8-16-9-6-12/h1-4,12,15H,5-10H2
InChIKeySXOMVCHCWIQKAM-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((4-fluorophenyl)thio)-N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)acetamide
CID 86265194
N-ethyl-1-(2-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
CID 103035762
3-[(3-Ethoxypropyl)amino]-4-[(4-fluorophenyl)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 20897909
(2R)-1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069272
1-(4-Fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 77220594
N'-[(2R)-1-(4-fluorophenyl)sulfanyl-4-morpholin-4-ylbutan-2-yl]propane-1,3-diamine
CID 91086645
2-[(4-Fluorophenyl)sulfanylmethyl]piperidin-4-ol
CID 171543420
4-(2-Phenylsulfanylethyl)morpholin-4-ium
CID 3715242
N-(3-cyclohexyloxypropyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 45850411
N-(2-phenylsulfanylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961801
3-ethoxy-N-[2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 55024127
4-ethoxy-N-[2-(4-fluorophenyl)sulfanylethyl]butan-1-amine
CID 55091971

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine (CID 63100219) is N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine is Fc1ccc(SCCNC2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine?
The InChIKey is SXOMVCHCWIQKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-11-1-3-13(4-2-11)17-10-7-15-12-5-8-16-9-6-12/h1-4,12,15H,5-10H2.
What are the key properties of N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine?
N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine has a molecular weight of 255.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfanylethyl]oxan-4-amine is sourced from PubChem (CID 63100219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).