2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine

C13H20N2S — CID 79259813

IUPAC2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(CSC2CCCC2)c1
InChIInChI=1S/C13H20N2S/c1-2-14-11-7-8-15-12(9-11)10-16-13-5-3-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,14,15)
InChIKeyNFBJYXVAUFEOOI-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.69
Rot. Bonds5

About 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine

2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine (PubChem CID 79259813) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine
PubChem CID79259813
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(CSC2CCCC2)c1
InChIInChI=1S/C13H20N2S/c1-2-14-11-7-8-15-12(9-11)10-16-13-5-3-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,14,15)
InChIKeyNFBJYXVAUFEOOI-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine (CID 79259813) is 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine is CCNc1ccnc(CSC2CCCC2)c1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine?
The InChIKey is NFBJYXVAUFEOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-14-11-7-8-15-12(9-11)10-16-13-5-3-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,14,15).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine?
2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine has a molecular weight of 236.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-N-ethylpyridin-4-amine is sourced from PubChem (CID 79259813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).