2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

C12H18N2O3S — CID 97381927

IUPAC2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCS(=O)(=O)N1CCc2c(COC)cncc2C1
InChIInChI=1S/C12H18N2O3S/c1-3-18(15,16)14-5-4-12-10(8-14)6-13-7-11(12)9-17-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyLTAHZNJVFHOZHB-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.94
Rot. Bonds4

About 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97381927) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97381927
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCS(=O)(=O)N1CCc2c(COC)cncc2C1
InChIInChI=1S/C12H18N2O3S/c1-3-18(15,16)14-5-4-12-10(8-14)6-13-7-11(12)9-17-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyLTAHZNJVFHOZHB-UHFFFAOYSA-N
XLogP0.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97381927) is 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is CCS(=O)(=O)N1CCc2c(COC)cncc2C1.
What is the InChIKey of 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is LTAHZNJVFHOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-18(15,16)14-5-4-12-10(8-14)6-13-7-11(12)9-17-2/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 270.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97381927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).