7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione

C19H19N3OS — CID 6421993

IUPAC7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione
SMILESS=C1N=C(c2ccccc2)OC2(CCCC2)NN1c1ccccc1
InChIInChI=1S/C19H19N3OS/c24-18-20-17(15-9-3-1-4-10-15)23-19(13-7-8-14-19)21-22(18)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
InChIKeyOITYEHMSAMKSDU-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.03
Rot. Bonds2

About 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione

7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione (PubChem CID 6421993) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione.

Molecular Properties

Compound Name7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione
PubChem CID6421993
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione
SMILESS=C1N=C(c2ccccc2)OC2(CCCC2)NN1c1ccccc1
InChIInChI=1S/C19H19N3OS/c24-18-20-17(15-9-3-1-4-10-15)23-19(13-7-8-14-19)21-22(18)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
InChIKeyOITYEHMSAMKSDU-UHFFFAOYSA-N
XLogP4.03
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione?
The IUPAC name of 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione (CID 6421993) is 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione.
What is the SMILES notation for 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione?
The canonical SMILES for 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione is S=C1N=C(c2ccccc2)OC2(CCCC2)NN1c1ccccc1.
What is the InChIKey of 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione?
The InChIKey is OITYEHMSAMKSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c24-18-20-17(15-9-3-1-4-10-15)23-19(13-7-8-14-19)21-22(18)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2.
What are the key properties of 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione?
7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione has a molecular weight of 337.45 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diphenyl-6-oxa-8,10,11-triazaspiro[4.6]undec-7-ene-9-thione is sourced from PubChem (CID 6421993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).