1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine

C12H11ClFNS2 — CID 107359831

IUPAC1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1ccc(F)cc1)c1sccc1Cl
InChIInChI=1S/C12H11ClFNS2/c13-10-5-6-16-12(10)11(15)7-17-9-3-1-8(14)2-4-9/h1-6,11H,7,15H2
InChIKeyKFUVJFDJVSQQTL-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.33
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine

1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 107359831) has the molecular formula C12H11ClFNS2 and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine
PubChem CID107359831
Molecular FormulaC12H11ClFNS2
Molecular Weight287.81 g/mol
Exact Mass287.00
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1ccc(F)cc1)c1sccc1Cl
InChIInChI=1S/C12H11ClFNS2/c13-10-5-6-16-12(10)11(15)7-17-9-3-1-8(14)2-4-9/h1-6,11H,7,15H2
InChIKeyKFUVJFDJVSQQTL-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine 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

1-(5-Chlorothiophen-2-yl)propan-1-amine
CID 17249036
(1R)-1-(5-chlorothiophen-2-yl)ethan-1-amine hydrochloride
CID 68753513
1-(5-Chlorothiophen-2-yl)ethan-1-amine hydrochloride
CID 77567437
1-(3-Chlorothiophen-2-yl)ethan-1-aminehydrochloride
CID 165665681
[(3-Chloro-4-fluorophenyl)sulfonyl](2-thienylmethyl)amine
CID 697817
(1S)-1-(5-chlorothiophen-2-yl)ethan-1-amine
CID 40465558
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 42958055
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzenesulfonamide
CID 42958056
N-[(3-chlorothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 2808237
2-(3-Chlorophenyl)-1-thiophen-2-ylethanamine
CID 3061997
2-(4-Chlorophenyl)-1-thiophen-2-ylethanamine
CID 3062001
2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3822290

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine (CID 107359831) is 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine is NC(CSc1ccc(F)cc1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is KFUVJFDJVSQQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS2/c13-10-5-6-16-12(10)11(15)7-17-9-3-1-8(14)2-4-9/h1-6,11H,7,15H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine?
1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine has a molecular weight of 287.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 107359831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).