5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine

C14H22N2O3S — CID 97463729

IUPAC5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCCS(=O)(=O)N1CCc2c(COCC)cncc2C1
InChIInChI=1S/C14H22N2O3S/c1-3-7-20(17,18)16-6-5-14-12(10-16)8-15-9-13(14)11-19-4-2/h8-9H,3-7,10-11H2,1-2H3
InChIKeyDWYKKZDBAVLPOD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.72
Rot. Bonds6

About 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine

5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463729) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463729
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCCS(=O)(=O)N1CCc2c(COCC)cncc2C1
InChIInChI=1S/C14H22N2O3S/c1-3-7-20(17,18)16-6-5-14-12(10-16)8-15-9-13(14)11-19-4-2/h8-9H,3-7,10-11H2,1-2H3
InChIKeyDWYKKZDBAVLPOD-UHFFFAOYSA-N
XLogP1.72
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine (CID 97463729) is 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine is CCCS(=O)(=O)N1CCc2c(COCC)cncc2C1.
What is the InChIKey of 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is DWYKKZDBAVLPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-7-20(17,18)16-6-5-14-12(10-16)8-15-9-13(14)11-19-4-2/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 298.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).