5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine

C14H21ClN2S — CID 63487271

IUPAC5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSC2CCCCC2)n1
InChIInChI=1S/C14H21ClN2S/c1-2-16-14-9-8-12(15)13(17-14)10-18-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,17)
InChIKeyLEYYVLJQGKPMST-UHFFFAOYSA-N
MW284.86 g/mol
LogP4.73
Rot. Bonds5

About 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine

5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine (PubChem CID 63487271) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine
PubChem CID63487271
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSC2CCCCC2)n1
InChIInChI=1S/C14H21ClN2S/c1-2-16-14-9-8-12(15)13(17-14)10-18-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,17)
InChIKeyLEYYVLJQGKPMST-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine (CID 63487271) is 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(CSC2CCCCC2)n1.
What is the InChIKey of 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine?
The InChIKey is LEYYVLJQGKPMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-2-16-14-9-8-12(15)13(17-14)10-18-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,17).
What are the key properties of 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine?
5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine has a molecular weight of 284.86 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 63487271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).