6-amino-4,6-dihydronaphthalene-2-sulfonic acid

C10H11NO3S — CID 88604057

IUPAC6-amino-4,6-dihydronaphthalene-2-sulfonic acid
SMILESNC1C=CC2=CC(S(=O)(=O)O)=CCC2=C1
InChIInChI=1S/C10H11NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1,3-6,9H,2,11H2,(H,12,13,14)
InChIKeyXGNGERDWKVPZQO-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.91
Rot. Bonds1

About 6-amino-4,6-dihydronaphthalene-2-sulfonic acid

6-amino-4,6-dihydronaphthalene-2-sulfonic acid (PubChem CID 88604057) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-amino-4,6-dihydronaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-amino-4,6-dihydronaphthalene-2-sulfonic acid
PubChem CID88604057
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name6-amino-4,6-dihydronaphthalene-2-sulfonic acid
SMILESNC1C=CC2=CC(S(=O)(=O)O)=CCC2=C1
InChIInChI=1S/C10H11NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1,3-6,9H,2,11H2,(H,12,13,14)
InChIKeyXGNGERDWKVPZQO-UHFFFAOYSA-N
XLogP0.91
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-Amino-4-fluorocyclohexa-1,5-diene-1-sulfonic acid
CID 91546568
5-Amino-2-fluorocyclohexa-1,3-diene-1-sulfonic acid
CID 91551595
4-Aminocyclohexa-1,5-diene-1-sulfonic acid
CID 18968176
6-Amino-1-methylcyclohexa-2,4-diene-1-sulfonic acid
CID 87845498
6-Amino-1,3-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 88065379
7-amino-7H-naphthalene-1,1,3-trisulfonic acid
CID 88489293
5-Ethenyl-6-sulfonylcyclohexa-2,4-dien-1-amine
CID 88626452
4-Ethenyl-6-sulfonylcyclohexa-2,4-dien-1-amine
CID 88709358
(3Z,6Z)-8-amino-5-methylnona-1,3,6-triene-5-sulfonic acid
CID 88914839
(3Z,5R)-5-aminohepta-1,3-diene-2-sulfonic acid
CID 90346899
2-Amino-3-ethylidenehex-4-ene-1-sulfonic acid
CID 90955315
6-Aminocyclohexa-1,3-diene-1-sulfonic acid
CID 123498999

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,6-dihydronaphthalene-2-sulfonic acid?
The IUPAC name of 6-amino-4,6-dihydronaphthalene-2-sulfonic acid (CID 88604057) is 6-amino-4,6-dihydronaphthalene-2-sulfonic acid.
What is the SMILES notation for 6-amino-4,6-dihydronaphthalene-2-sulfonic acid?
The canonical SMILES for 6-amino-4,6-dihydronaphthalene-2-sulfonic acid is NC1C=CC2=CC(S(=O)(=O)O)=CCC2=C1.
What is the InChIKey of 6-amino-4,6-dihydronaphthalene-2-sulfonic acid?
The InChIKey is XGNGERDWKVPZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1,3-6,9H,2,11H2,(H,12,13,14).
What are the key properties of 6-amino-4,6-dihydronaphthalene-2-sulfonic acid?
6-amino-4,6-dihydronaphthalene-2-sulfonic acid has a molecular weight of 225.27 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,6-dihydronaphthalene-2-sulfonic acid is sourced from PubChem (CID 88604057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).