(1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine

C13H20N2S — CID 83124314

IUPAC(1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(SCC2CCCC2)cn1
InChIInChI=1S/C13H20N2S/c1-10(14)13-7-6-12(8-15-13)16-9-11-4-2-3-5-11/h6-8,10-11H,2-5,9,14H2,1H3/t10-/m0/s1
InChIKeySHZPQFFFMLPTHV-JTQLQIEISA-N
MW236.38 g/mol
LogP3.38
Rot. Bonds4

About (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine

(1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine (PubChem CID 83124314) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine
PubChem CID83124314
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name(1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(SCC2CCCC2)cn1
InChIInChI=1S/C13H20N2S/c1-10(14)13-7-6-12(8-15-13)16-9-11-4-2-3-5-11/h6-8,10-11H,2-5,9,14H2,1H3/t10-/m0/s1
InChIKeySHZPQFFFMLPTHV-JTQLQIEISA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine (CID 83124314) is (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(SCC2CCCC2)cn1.
What is the InChIKey of (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine?
The InChIKey is SHZPQFFFMLPTHV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2S/c1-10(14)13-7-6-12(8-15-13)16-9-11-4-2-3-5-11/h6-8,10-11H,2-5,9,14H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine?
(1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine has a molecular weight of 236.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83124314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).