1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine

C12H18N2S — CID 83124069

IUPAC1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine
SMILESCC(N)c1ccc(SC2CCCC2)cn1
InChIInChI=1S/C12H18N2S/c1-9(13)12-7-6-11(8-14-12)15-10-4-2-3-5-10/h6-10H,2-5,13H2,1H3
InChIKeyYHKBLIGOWCTVMN-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.14
Rot. Bonds3

About 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine

1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine (PubChem CID 83124069) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine
PubChem CID83124069
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine
SMILESCC(N)c1ccc(SC2CCCC2)cn1
InChIInChI=1S/C12H18N2S/c1-9(13)12-7-6-11(8-14-12)15-10-4-2-3-5-10/h6-10H,2-5,13H2,1H3
InChIKeyYHKBLIGOWCTVMN-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine (CID 83124069) is 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine is CC(N)c1ccc(SC2CCCC2)cn1.
What is the InChIKey of 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine?
The InChIKey is YHKBLIGOWCTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9(13)12-7-6-11(8-14-12)15-10-4-2-3-5-10/h6-10H,2-5,13H2,1H3.
What are the key properties of 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine?
1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine has a molecular weight of 222.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).