N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine

C14H16FNS2 — CID 60695389

IUPACN-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
SMILESFc1ccc(SCCNCCc2cccs2)cc1
InChIInChI=1S/C14H16FNS2/c15-12-3-5-14(6-4-12)18-11-9-16-8-7-13-2-1-10-17-13/h1-6,10,16H,7-9,11H2
InChIKeyFWJAZGBHKPLWTB-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.81
Rot. Bonds7

About N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine

N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine (PubChem CID 60695389) has the molecular formula C14H16FNS2 and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
PubChem CID60695389
Molecular FormulaC14H16FNS2
Molecular Weight281.42 g/mol
Exact Mass281.07
IUPAC NameN-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
SMILESFc1ccc(SCCNCCc2cccs2)cc1
InChIInChI=1S/C14H16FNS2/c15-12-3-5-14(6-4-12)18-11-9-16-8-7-13-2-1-10-17-13/h1-6,10,16H,7-9,11H2
InChIKeyFWJAZGBHKPLWTB-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine
CID 62578414
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
CID 112793501
2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62577565
N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62578547
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 62578123
N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 43312639
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 107661497
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine (CID 60695389) is N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine is Fc1ccc(SCCNCCc2cccs2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine?
The InChIKey is FWJAZGBHKPLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS2/c15-12-3-5-14(6-4-12)18-11-9-16-8-7-13-2-1-10-17-13/h1-6,10,16H,7-9,11H2.
What are the key properties of N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine?
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine has a molecular weight of 281.42 g/mol, XLogP of 3.81, 7 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]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 60695389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).