2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C13H10Cl3NS — CID 81252677

IUPAC2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl3NS/c14-8-2-1-3-10(13(8)16)17-9-4-5-11-7(9)6-12(15)18-11/h1-3,6,9,17H,4-5H2
InChIKeyQWSRIYBMIQDMLO-UHFFFAOYSA-N
MW318.66 g/mol
LogP5.81
Rot. Bonds2

About 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252677) has the molecular formula C13H10Cl3NS and a molecular weight of 318.66 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252677
Molecular FormulaC13H10Cl3NS
Molecular Weight318.66 g/mol
Exact Mass316.96
IUPAC Name2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl3NS/c14-8-2-1-3-10(13(8)16)17-9-4-5-11-7(9)6-12(15)18-11/h1-3,6,9,17H,4-5H2
InChIKeyQWSRIYBMIQDMLO-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.66
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252677) is 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Clc1cc2c(s1)CCC2Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is QWSRIYBMIQDMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NS/c14-8-2-1-3-10(13(8)16)17-9-4-5-11-7(9)6-12(15)18-11/h1-3,6,9,17H,4-5H2.
What are the key properties of 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 318.66 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).