5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine

C12H17BrN2S — CID 103704828

IUPAC5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
SMILESCCSC1CCC(Nc2ccc(Br)cn2)C1
InChIInChI=1S/C12H17BrN2S/c1-2-16-11-5-4-10(7-11)15-12-6-3-9(13)8-14-12/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,14,15)
InChIKeyPDAMOFCUMREBSP-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.93
Rot. Bonds4

About 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine

5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine (PubChem CID 103704828) has the molecular formula C12H17BrN2S and a molecular weight of 301.25 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
PubChem CID103704828
Molecular FormulaC12H17BrN2S
Molecular Weight301.25 g/mol
Exact Mass300.03
IUPAC Name5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
SMILESCCSC1CCC(Nc2ccc(Br)cn2)C1
InChIInChI=1S/C12H17BrN2S/c1-2-16-11-5-4-10(7-11)15-12-6-3-9(13)8-14-12/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,14,15)
InChIKeyPDAMOFCUMREBSP-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
N-(3-ethylsulfanylcyclopentyl)-5-nitropyridin-2-amine
CID 113244226
5-bromo-N-(3-methoxycyclopentyl)pyridin-2-amine
CID 103081976
N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 113244238
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
CID 114124045
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
CID 114124106
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine (CID 103704828) is 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine is CCSC1CCC(Nc2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine?
The InChIKey is PDAMOFCUMREBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2S/c1-2-16-11-5-4-10(7-11)15-12-6-3-9(13)8-14-12/h3,6,8,10-11H,2,4-5,7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine?
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine has a molecular weight of 301.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine is sourced from PubChem (CID 103704828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).