2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine

C12H18N2S — CID 66278717

IUPAC2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine
SMILESCc1cnc(SCC2CCCC2)c(N)c1
InChIInChI=1S/C12H18N2S/c1-9-6-11(13)12(14-7-9)15-8-10-4-2-3-5-10/h6-7,10H,2-5,8,13H2,1H3
InChIKeyBUBUOYIMZUFYRG-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.25
Rot. Bonds3

About 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine

2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine (PubChem CID 66278717) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine
PubChem CID66278717
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine
SMILESCc1cnc(SCC2CCCC2)c(N)c1
InChIInChI=1S/C12H18N2S/c1-9-6-11(13)12(14-7-9)15-8-10-4-2-3-5-10/h6-7,10H,2-5,8,13H2,1H3
InChIKeyBUBUOYIMZUFYRG-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine (CID 66278717) is 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine is Cc1cnc(SCC2CCCC2)c(N)c1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine?
The InChIKey is BUBUOYIMZUFYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9-6-11(13)12(14-7-9)15-8-10-4-2-3-5-10/h6-7,10H,2-5,8,13H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine?
2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine has a molecular weight of 222.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-5-methylpyridin-3-amine is sourced from PubChem (CID 66278717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).