1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine

C13H13ClN2S — CID 83123718

IUPAC1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Sc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H13ClN2S/c1-9(15)13-7-6-12(8-16-13)17-11-4-2-10(14)3-5-11/h2-9H,15H2,1H3
InChIKeySZIJRCVYUQTGMM-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.91
Rot. Bonds3

About 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine

1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine (PubChem CID 83123718) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine
PubChem CID83123718
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(Sc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H13ClN2S/c1-9(15)13-7-6-12(8-16-13)17-11-4-2-10(14)3-5-11/h2-9H,15H2,1H3
InChIKeySZIJRCVYUQTGMM-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine (CID 83123718) is 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine is CC(N)c1ccc(Sc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine?
The InChIKey is SZIJRCVYUQTGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-9(15)13-7-6-12(8-16-13)17-11-4-2-10(14)3-5-11/h2-9H,15H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine?
1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine has a molecular weight of 264.78 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)sulfanyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).