methanamine;naphthalene-1-sulfonic acid

C11H13NO3S — CID 174421353

IUPACmethanamine;naphthalene-1-sulfonic acid
SMILESCN.O=S(=O)(O)c1cccc2ccccc12
InChIInChI=1S/C10H8O3S.CH5N/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H,(H,11,12,13);2H2,1H3
InChIKeyGVXWLUAIEQJSEW-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.66
Rot. Bonds1

About methanamine;naphthalene-1-sulfonic acid

methanamine;naphthalene-1-sulfonic acid (PubChem CID 174421353) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is methanamine;naphthalene-1-sulfonic acid.

Molecular Properties

Compound Namemethanamine;naphthalene-1-sulfonic acid
PubChem CID174421353
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Namemethanamine;naphthalene-1-sulfonic acid
SMILESCN.O=S(=O)(O)c1cccc2ccccc12
InChIInChI=1S/C10H8O3S.CH5N/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H,(H,11,12,13);2H2,1H3
InChIKeyGVXWLUAIEQJSEW-UHFFFAOYSA-N
XLogP1.66
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.66
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

naphthalene-1-sulfonic acid
CID 158712346
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
CID 87599032
CID 87599032
naphthalene-1-sulfonic acid;phosphoric acid
CID 157288901
acetic acid;ethane-1,2-diamine;naphthalene-1-sulfonic acid
CID 174507943
2-methylaniline;naphthalene-1-sulfonic acid
CID 87775732

Frequently Asked Questions

What is the IUPAC name of methanamine;naphthalene-1-sulfonic acid?
The IUPAC name of methanamine;naphthalene-1-sulfonic acid (CID 174421353) is methanamine;naphthalene-1-sulfonic acid.
What is the SMILES notation for methanamine;naphthalene-1-sulfonic acid?
The canonical SMILES for methanamine;naphthalene-1-sulfonic acid is CN.O=S(=O)(O)c1cccc2ccccc12.
What is the InChIKey of methanamine;naphthalene-1-sulfonic acid?
The InChIKey is GVXWLUAIEQJSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.CH5N/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7H,(H,11,12,13);2H2,1H3.
What are the key properties of methanamine;naphthalene-1-sulfonic acid?
methanamine;naphthalene-1-sulfonic acid has a molecular weight of 239.30 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;naphthalene-1-sulfonic acid is sourced from PubChem (CID 174421353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).