[methyl(naphthalen-2-yl)amino] hydrogen sulfite

C11H11NO3S — CID 174392354

IUPAC[methyl(naphthalen-2-yl)amino] hydrogen sulfite
SMILESCN(OS(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C11H11NO3S/c1-12(15-16(13)14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3,(H,13,14)
InChIKeyOXLOGPGPQARCTE-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.34
Rot. Bonds3

About [methyl(naphthalen-2-yl)amino] hydrogen sulfite

[methyl(naphthalen-2-yl)amino] hydrogen sulfite (PubChem CID 174392354) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is [methyl(naphthalen-2-yl)amino] hydrogen sulfite.

Molecular Properties

Compound Name[methyl(naphthalen-2-yl)amino] hydrogen sulfite
PubChem CID174392354
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name[methyl(naphthalen-2-yl)amino] hydrogen sulfite
SMILESCN(OS(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C11H11NO3S/c1-12(15-16(13)14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3,(H,13,14)
InChIKeyOXLOGPGPQARCTE-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl(naphthalen-2-yl)amino] hydrogen sulfite?
The IUPAC name of [methyl(naphthalen-2-yl)amino] hydrogen sulfite (CID 174392354) is [methyl(naphthalen-2-yl)amino] hydrogen sulfite.
What is the SMILES notation for [methyl(naphthalen-2-yl)amino] hydrogen sulfite?
The canonical SMILES for [methyl(naphthalen-2-yl)amino] hydrogen sulfite is CN(OS(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of [methyl(naphthalen-2-yl)amino] hydrogen sulfite?
The InChIKey is OXLOGPGPQARCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-12(15-16(13)14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3,(H,13,14).
What are the key properties of [methyl(naphthalen-2-yl)amino] hydrogen sulfite?
[methyl(naphthalen-2-yl)amino] hydrogen sulfite has a molecular weight of 237.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(naphthalen-2-yl)amino] hydrogen sulfite is sourced from PubChem (CID 174392354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).