5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine

C10H15BrN2O3S — CID 71996178

IUPAC5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine
SMILESCS(=O)(=O)CCOCCNc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-17(14,15)5-4-16-3-2-13-10-6-9(11)7-12-8-10/h6-8,13H,2-5H2,1H3
InChIKeyWKSGUDAFTUPIEM-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.32
Rot. Bonds7

About 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine

5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine (PubChem CID 71996178) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine
PubChem CID71996178
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine
SMILESCS(=O)(=O)CCOCCNc1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-17(14,15)5-4-16-3-2-13-10-6-9(11)7-12-8-10/h6-8,13H,2-5H2,1H3
InChIKeyWKSGUDAFTUPIEM-UHFFFAOYSA-N
XLogP1.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine (CID 71996178) is 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine is CS(=O)(=O)CCOCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine?
The InChIKey is WKSGUDAFTUPIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-17(14,15)5-4-16-3-2-13-10-6-9(11)7-12-8-10/h6-8,13H,2-5H2,1H3.
What are the key properties of 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine?
5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine has a molecular weight of 323.21 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methylsulfonylethoxy)ethyl]pyridin-3-amine is sourced from PubChem (CID 71996178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).