2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine

C13H13Cl2NS2 — CID 112736355

IUPAC2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESClc1cc(Cl)cc(SCCNCc2cccs2)c1
InChIInChI=1S/C13H13Cl2NS2/c14-10-6-11(15)8-13(7-10)18-5-3-16-9-12-2-1-4-17-12/h1-2,4,6-8,16H,3,5,9H2
InChIKeyWIJDMJOHFFEIRG-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.94
Rot. Bonds6

About 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine

2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 112736355) has the molecular formula C13H13Cl2NS2 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID112736355
Molecular FormulaC13H13Cl2NS2
Molecular Weight318.29 g/mol
Exact Mass316.99
IUPAC Name2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESClc1cc(Cl)cc(SCCNCc2cccs2)c1
InChIInChI=1S/C13H13Cl2NS2/c14-10-6-11(15)8-13(7-10)18-5-3-16-9-12-2-1-4-17-12/h1-2,4,6-8,16H,3,5,9H2
InChIKeyWIJDMJOHFFEIRG-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.94
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

2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62583170
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 55092488
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111258831
3-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride
CID 17123333
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115574180
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine (CID 112736355) is 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine is Clc1cc(Cl)cc(SCCNCc2cccs2)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is WIJDMJOHFFEIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS2/c14-10-6-11(15)8-13(7-10)18-5-3-16-9-12-2-1-4-17-12/h1-2,4,6-8,16H,3,5,9H2.
What are the key properties of 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 318.29 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 112736355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).