7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione

C19H16N4O2S2 — CID 3258072

IUPAC7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione
SMILESO=C1NC(=S)NC(=O)C12C(c1ccccc1)NC(=S)NC2c1ccccc1
InChIInChI=1S/C19H16N4O2S2/c24-15-19(16(25)23-18(27)22-15)13(11-7-3-1-4-8-11)20-17(26)21-14(19)12-9-5-2-6-10-12/h1-10,13-14H,(H2,20,21,26)(H2,22,23,24,25,27)
InChIKeyUPVOZJUUXROJCG-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.46
Rot. Bonds2

About 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione

7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione (PubChem CID 3258072) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione.

Molecular Properties

Compound Name7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione
PubChem CID3258072
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione
SMILESO=C1NC(=S)NC(=O)C12C(c1ccccc1)NC(=S)NC2c1ccccc1
InChIInChI=1S/C19H16N4O2S2/c24-15-19(16(25)23-18(27)22-15)13(11-7-3-1-4-8-11)20-17(26)21-14(19)12-9-5-2-6-10-12/h1-10,13-14H,(H2,20,21,26)(H2,22,23,24,25,27)
InChIKeyUPVOZJUUXROJCG-UHFFFAOYSA-N
XLogP1.46
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione?
The IUPAC name of 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione (CID 3258072) is 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione.
What is the SMILES notation for 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione?
The canonical SMILES for 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione is O=C1NC(=S)NC(=O)C12C(c1ccccc1)NC(=S)NC2c1ccccc1.
What is the InChIKey of 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione?
The InChIKey is UPVOZJUUXROJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c24-15-19(16(25)23-18(27)22-15)13(11-7-3-1-4-8-11)20-17(26)21-14(19)12-9-5-2-6-10-12/h1-10,13-14H,(H2,20,21,26)(H2,22,23,24,25,27).
What are the key properties of 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione?
7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione has a molecular weight of 396.50 g/mol, XLogP of 1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-diphenyl-3,9-bis(sulfanylidene)-2,4,8,10-tetrazaspiro[5.5]undecane-1,5-dione is sourced from PubChem (CID 3258072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).