6-(aminosulfonimidoyl)isoquinoline

C9H9N3OS — CID 146570705

IUPAC6-(aminosulfonimidoyl)isoquinoline
SMILES[H]N=S(N)(=O)c1ccc2cnccc2c1
InChIInChI=1S/C9H9N3OS/c10-14(11,13)9-2-1-8-6-12-4-3-7(8)5-9/h1-6H,(H3,10,11,13)
InChIKeyJEOWHRSYRSIFLO-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.51
Rot. Bonds1

About 6-(aminosulfonimidoyl)isoquinoline

6-(aminosulfonimidoyl)isoquinoline (PubChem CID 146570705) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 6-(aminosulfonimidoyl)isoquinoline.

Molecular Properties

Compound Name6-(aminosulfonimidoyl)isoquinoline
PubChem CID146570705
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name6-(aminosulfonimidoyl)isoquinoline
SMILES[H]N=S(N)(=O)c1ccc2cnccc2c1
InChIInChI=1S/C9H9N3OS/c10-14(11,13)9-2-1-8-6-12-4-3-7(8)5-9/h1-6H,(H3,10,11,13)
InChIKeyJEOWHRSYRSIFLO-UHFFFAOYSA-N
XLogP1.51
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminosulfonimidoyl)isoquinoline?
The IUPAC name of 6-(aminosulfonimidoyl)isoquinoline (CID 146570705) is 6-(aminosulfonimidoyl)isoquinoline.
What is the SMILES notation for 6-(aminosulfonimidoyl)isoquinoline?
The canonical SMILES for 6-(aminosulfonimidoyl)isoquinoline is [H]N=S(N)(=O)c1ccc2cnccc2c1.
What is the InChIKey of 6-(aminosulfonimidoyl)isoquinoline?
The InChIKey is JEOWHRSYRSIFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-14(11,13)9-2-1-8-6-12-4-3-7(8)5-9/h1-6H,(H3,10,11,13).
What are the key properties of 6-(aminosulfonimidoyl)isoquinoline?
6-(aminosulfonimidoyl)isoquinoline has a molecular weight of 207.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminosulfonimidoyl)isoquinoline is sourced from PubChem (CID 146570705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).