2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine

C13H19ClN2S — CID 113449556

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
SMILESCNC(CSc1ncccc1Cl)C1CCCC1
InChIInChI=1S/C13H19ClN2S/c1-15-12(10-5-2-3-6-10)9-17-13-11(14)7-4-8-16-13/h4,7-8,10,12,15H,2-3,5-6,9H2,1H3
InChIKeyWGLZPPKCPFYAHI-UHFFFAOYSA-N
MW270.83 g/mol
LogP3.61
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine

2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine (PubChem CID 113449556) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
PubChem CID113449556
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine
SMILESCNC(CSc1ncccc1Cl)C1CCCC1
InChIInChI=1S/C13H19ClN2S/c1-15-12(10-5-2-3-6-10)9-17-13-11(14)7-4-8-16-13/h4,7-8,10,12,15H,2-3,5-6,9H2,1H3
InChIKeyWGLZPPKCPFYAHI-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine (CID 113449556) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine is CNC(CSc1ncccc1Cl)C1CCCC1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine?
The InChIKey is WGLZPPKCPFYAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-15-12(10-5-2-3-6-10)9-17-13-11(14)7-4-8-16-13/h4,7-8,10,12,15H,2-3,5-6,9H2,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine has a molecular weight of 270.83 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 113449556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).