2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine

C15H25N3O3S — CID 97463758

IUPAC2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine
SMILESCCS(=O)(=O)N1CCc2c(COCCN(C)C)cncc2C1
InChIInChI=1S/C15H25N3O3S/c1-4-22(19,20)18-6-5-15-13(11-18)9-16-10-14(15)12-21-8-7-17(2)3/h9-10H,4-8,11-12H2,1-3H3
InChIKeyRZWQPAZTXIBTGE-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.87
Rot. Bonds7

About 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine

2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine (PubChem CID 97463758) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine
PubChem CID97463758
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine
SMILESCCS(=O)(=O)N1CCc2c(COCCN(C)C)cncc2C1
InChIInChI=1S/C15H25N3O3S/c1-4-22(19,20)18-6-5-15-13(11-18)9-16-10-14(15)12-21-8-7-17(2)3/h9-10H,4-8,11-12H2,1-3H3
InChIKeyRZWQPAZTXIBTGE-UHFFFAOYSA-N
XLogP0.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.87
H-Bond Donors ≤ 50
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 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine (CID 97463758) is 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine is CCS(=O)(=O)N1CCc2c(COCCN(C)C)cncc2C1.
What is the InChIKey of 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine?
The InChIKey is RZWQPAZTXIBTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-4-22(19,20)18-6-5-15-13(11-18)9-16-10-14(15)12-21-8-7-17(2)3/h9-10H,4-8,11-12H2,1-3H3.
What are the key properties of 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine?
2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine has a molecular weight of 327.45 g/mol, XLogP of 0.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 97463758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).