4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine

C15H26N6O2S — CID 142840372

IUPAC4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
SMILESCc1nc(N)c2nc(C)n(CCOCCNS(=O)N(C)C)c2c1C
InChIInChI=1S/C15H26N6O2S/c1-10-11(2)18-15(16)13-14(10)21(12(3)19-13)7-9-23-8-6-17-24(22)20(4)5/h17H,6-9H2,1-5H3,(H2,16,18)
InChIKeyWAYFLZFRWXJCPL-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.69
Rot. Bonds8

About 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine

4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine (PubChem CID 142840372) has the molecular formula C15H26N6O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
PubChem CID142840372
Molecular FormulaC15H26N6O2S
Molecular Weight354.48 g/mol
Exact Mass354.18
IUPAC Name4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
SMILESCc1nc(N)c2nc(C)n(CCOCCNS(=O)N(C)C)c2c1C
InChIInChI=1S/C15H26N6O2S/c1-10-11(2)18-15(16)13-14(10)21(12(3)19-13)7-9-23-8-6-17-24(22)20(4)5/h17H,6-9H2,1-5H3,(H2,16,18)
InChIKeyWAYFLZFRWXJCPL-UHFFFAOYSA-N
XLogP0.69
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine?
The IUPAC name of 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine (CID 142840372) is 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine is Cc1nc(N)c2nc(C)n(CCOCCNS(=O)N(C)C)c2c1C.
What is the InChIKey of 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine?
The InChIKey is WAYFLZFRWXJCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2S/c1-10-11(2)18-15(16)13-14(10)21(12(3)19-13)7-9-23-8-6-17-24(22)20(4)5/h17H,6-9H2,1-5H3,(H2,16,18).
What are the key properties of 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine?
4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine has a molecular weight of 354.48 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[2-(dimethylsulfinamoylamino)ethoxy]ethyl]-2,6,7-trimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 142840372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).