2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine

C13H20N2O2S — CID 129100139

IUPAC2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1ccc2c(n1)CCN(CCS(C)(=O)=O)C2
InChIInChI=1S/C13H20N2O2S/c1-3-12-5-4-11-10-15(7-6-13(11)14-12)8-9-18(2,16)17/h4-5H,3,6-10H2,1-2H3
InChIKeyMTJFDWKLIIUCJU-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.05
Rot. Bonds4

About 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine

2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 129100139) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID129100139
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1ccc2c(n1)CCN(CCS(C)(=O)=O)C2
InChIInChI=1S/C13H20N2O2S/c1-3-12-5-4-11-10-15(7-6-13(11)14-12)8-9-18(2,16)17/h4-5H,3,6-10H2,1-2H3
InChIKeyMTJFDWKLIIUCJU-UHFFFAOYSA-N
XLogP1.05
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 129100139) is 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine is CCc1ccc2c(n1)CCN(CCS(C)(=O)=O)C2.
What is the InChIKey of 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is MTJFDWKLIIUCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-12-5-4-11-10-15(7-6-13(11)14-12)8-9-18(2,16)17/h4-5H,3,6-10H2,1-2H3.
What are the key properties of 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 268.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 129100139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).