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

C11H10NO3S- — CID 174392353

IUPAC[methyl(naphthalen-2-yl)amino] 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)/p-1
InChIKeyOXLOGPGPQARCTE-UHFFFAOYSA-M
MW236.27 g/mol
LogP2.00
Rot. Bonds3

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

[methyl(naphthalen-2-yl)amino] sulfite (PubChem CID 174392353) has the molecular formula C11H10NO3S- and a molecular weight of 236.27 g/mol. Its IUPAC name is [methyl(naphthalen-2-yl)amino] sulfite.

Molecular Properties

Compound Name[methyl(naphthalen-2-yl)amino] sulfite
PubChem CID174392353
Molecular FormulaC11H10NO3S-
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name[methyl(naphthalen-2-yl)amino] 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)/p-1
InChIKeyOXLOGPGPQARCTE-UHFFFAOYSA-M
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

[methyl(naphthalen-2-yl)amino] hydrogen sulfite
CID 174392354
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
naphthalen-2-yl sulfite;nickel
CID 175470148
ethane;N-methyl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 143983755
[[1-[3-(4-methoxyphenyl)sulfonylphenyl]indol-6-yl]-methylamino] sulfite
CID 174905178
[[1-[3-(1-hydroxy-1-phenylethyl)phenyl]indol-6-yl]-methylamino] sulfite
CID 174905746
2-[bis(methylsulfamoyl)amino]naphthalene
CID 141077953
N-(3,4-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 163968622
N-(3,5-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 70891373
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413

Frequently Asked Questions

What is the IUPAC name of [methyl(naphthalen-2-yl)amino] sulfite?
The IUPAC name of [methyl(naphthalen-2-yl)amino] sulfite (CID 174392353) is [methyl(naphthalen-2-yl)amino] sulfite.
What is the SMILES notation for [methyl(naphthalen-2-yl)amino] sulfite?
The canonical SMILES for [methyl(naphthalen-2-yl)amino] sulfite is CN(OS(=O)[O-])c1ccc2ccccc2c1.
What is the InChIKey of [methyl(naphthalen-2-yl)amino] sulfite?
The InChIKey is OXLOGPGPQARCTE-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of [methyl(naphthalen-2-yl)amino] sulfite?
[methyl(naphthalen-2-yl)amino] sulfite has a molecular weight of 236.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(naphthalen-2-yl)amino] sulfite is sourced from PubChem (CID 174392353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).