ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium

C14H17NO2S2Y-2 — CID 58986370

IUPACethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium
SMILESO=S(=O)(NCCS)c1cccc2[c-]cccc12.[CH2-]C.[Y]
InChIInChI=1S/C12H12NO2S2.C2H5.Y/c14-17(15,13-8-9-16)12-7-3-5-10-4-1-2-6-11(10)12;1-2;/h1-3,5-7,13,16H,8-9H2;1H2,2H3;/q2*-1;
InChIKeyFQHZKWKJWHIRFI-UHFFFAOYSA-N
MW384.34 g/mol
LogP2.69
Rot. Bonds4

About ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium

ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium (PubChem CID 58986370) has the molecular formula C14H17NO2S2Y-2 and a molecular weight of 384.34 g/mol. Its IUPAC name is ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium.

Molecular Properties

Compound Nameethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium
PubChem CID58986370
Molecular FormulaC14H17NO2S2Y-2
Molecular Weight384.34 g/mol
Exact Mass383.98
IUPAC Nameethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium
SMILESO=S(=O)(NCCS)c1cccc2[c-]cccc12.[CH2-]C.[Y]
InChIInChI=1S/C12H12NO2S2.C2H5.Y/c14-17(15,13-8-9-16)12-7-3-5-10-4-1-2-6-11(10)12;1-2;/h1-3,5-7,13,16H,8-9H2;1H2,2H3;/q2*-1;
InChIKeyFQHZKWKJWHIRFI-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium?
The IUPAC name of ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium (CID 58986370) is ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium.
What is the SMILES notation for ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium?
The canonical SMILES for ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium is O=S(=O)(NCCS)c1cccc2[c-]cccc12.[CH2-]C.[Y].
What is the InChIKey of ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium?
The InChIKey is FQHZKWKJWHIRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO2S2.C2H5.Y/c14-17(15,13-8-9-16)12-7-3-5-10-4-1-2-6-11(10)12;1-2;/h1-3,5-7,13,16H,8-9H2;1H2,2H3;/q2*-1;.
What are the key properties of ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium?
ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium has a molecular weight of 384.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-sulfanylethyl)-5H-naphthalen-5-ide-1-sulfonamide;yttrium is sourced from PubChem (CID 58986370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).