(3-aminonaphthalen-2-yl) sulfite

C10H8NO3S- — CID 174651663

IUPAC(3-aminonaphthalen-2-yl) sulfite
SMILESNc1cc2ccccc2cc1OS(=O)[O-]
InChIInChI=1S/C10H9NO3S/c11-9-5-7-3-1-2-4-8(7)6-10(9)14-15(12)13/h1-6H,11H2,(H,12,13)/p-1
InChIKeyKRNBWHPTTZNYER-UHFFFAOYSA-M
MW222.25 g/mol
LogP1.59
Rot. Bonds2

About (3-aminonaphthalen-2-yl) sulfite

(3-aminonaphthalen-2-yl) sulfite (PubChem CID 174651663) has the molecular formula C10H8NO3S- and a molecular weight of 222.25 g/mol. Its IUPAC name is (3-aminonaphthalen-2-yl) sulfite.

Molecular Properties

Compound Name(3-aminonaphthalen-2-yl) sulfite
PubChem CID174651663
Molecular FormulaC10H8NO3S-
Molecular Weight222.25 g/mol
Exact Mass222.02
IUPAC Name(3-aminonaphthalen-2-yl) sulfite
SMILESNc1cc2ccccc2cc1OS(=O)[O-]
InChIInChI=1S/C10H9NO3S/c11-9-5-7-3-1-2-4-8(7)6-10(9)14-15(12)13/h1-6H,11H2,(H,12,13)/p-1
InChIKeyKRNBWHPTTZNYER-UHFFFAOYSA-M
XLogP1.59
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-aminonaphthalen-2-yl) sulfite?
The IUPAC name of (3-aminonaphthalen-2-yl) sulfite (CID 174651663) is (3-aminonaphthalen-2-yl) sulfite.
What is the SMILES notation for (3-aminonaphthalen-2-yl) sulfite?
The canonical SMILES for (3-aminonaphthalen-2-yl) sulfite is Nc1cc2ccccc2cc1OS(=O)[O-].
What is the InChIKey of (3-aminonaphthalen-2-yl) sulfite?
The InChIKey is KRNBWHPTTZNYER-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3S/c11-9-5-7-3-1-2-4-8(7)6-10(9)14-15(12)13/h1-6H,11H2,(H,12,13)/p-1.
What are the key properties of (3-aminonaphthalen-2-yl) sulfite?
(3-aminonaphthalen-2-yl) sulfite has a molecular weight of 222.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminonaphthalen-2-yl) sulfite is sourced from PubChem (CID 174651663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).