2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine

C13H20N2O3S — CID 65044228

IUPAC2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
SMILESCCOc1ncccc1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-3-18-13-11(7-5-9-14-13)15-10-6-4-8-12(10)19(2,16)17/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3
InChIKeyYLXWTDNIMFFHMD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.86
Rot. Bonds5

About 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine

2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine (PubChem CID 65044228) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
PubChem CID65044228
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
SMILESCCOc1ncccc1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-3-18-13-11(7-5-9-14-13)15-10-6-4-8-12(10)19(2,16)17/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3
InChIKeyYLXWTDNIMFFHMD-UHFFFAOYSA-N
XLogP1.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine (CID 65044228) is 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine is CCOc1ncccc1NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The InChIKey is YLXWTDNIMFFHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-18-13-11(7-5-9-14-13)15-10-6-4-8-12(10)19(2,16)17/h5,7,9-10,12,15H,3-4,6,8H2,1-2H3.
What are the key properties of 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine is sourced from PubChem (CID 65044228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).