1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone

C12H15ClN2OS — CID 65138738

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone
SMILESNc1ncc(Cl)cc1C(=O)CSC1CCCC1
InChIInChI=1S/C12H15ClN2OS/c13-8-5-10(12(14)15-6-8)11(16)7-17-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H2,14,15)
InChIKeyRGPGIDFLTHEHEX-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.18
Rot. Bonds4

About 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone

1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone (PubChem CID 65138738) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone
PubChem CID65138738
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone
SMILESNc1ncc(Cl)cc1C(=O)CSC1CCCC1
InChIInChI=1S/C12H15ClN2OS/c13-8-5-10(12(14)15-6-8)11(16)7-17-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H2,14,15)
InChIKeyRGPGIDFLTHEHEX-UHFFFAOYSA-N
XLogP3.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone (CID 65138738) is 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone is Nc1ncc(Cl)cc1C(=O)CSC1CCCC1.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone?
The InChIKey is RGPGIDFLTHEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-8-5-10(12(14)15-6-8)11(16)7-17-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H2,14,15).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone?
1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone has a molecular weight of 270.78 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone is sourced from PubChem (CID 65138738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).