N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine

C14H16FNS2 — CID 66073061

IUPACN-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
SMILESCCNC(CSc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C14H16FNS2/c1-2-16-14(11-7-8-17-9-11)10-18-13-5-3-12(15)4-6-13/h3-9,14,16H,2,10H2,1H3
InChIKeyZYBGZTIBPKBLNQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.33
Rot. Bonds6

About N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine

N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine (PubChem CID 66073061) has the molecular formula C14H16FNS2 and a molecular weight of 281.42 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
PubChem CID66073061
Molecular FormulaC14H16FNS2
Molecular Weight281.42 g/mol
Exact Mass281.07
IUPAC NameN-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
SMILESCCNC(CSc1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C14H16FNS2/c1-2-16-14(11-7-8-17-9-11)10-18-13-5-3-12(15)4-6-13/h3-9,14,16H,2,10H2,1H3
InChIKeyZYBGZTIBPKBLNQ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66065314
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanamine
CID 66066896
2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66072212
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
CID 66065312
N-ethyl-1-thiophen-3-ylbut-3-en-1-amine
CID 61380819
N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 106849127
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095689
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095736
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine (CID 66073061) is N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine is CCNC(CSc1ccc(F)cc1)c1ccsc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine?
The InChIKey is ZYBGZTIBPKBLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS2/c1-2-16-14(11-7-8-17-9-11)10-18-13-5-3-12(15)4-6-13/h3-9,14,16H,2,10H2,1H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine?
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine has a molecular weight of 281.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 66073061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).