1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C17H15NO2S — CID 135027393

IUPAC1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCC1=C(Sc2ccccc2)C(=O)N(C)C12C=CC(=O)C=C2
InChIInChI=1S/C17H15NO2S/c1-12-15(21-14-6-4-3-5-7-14)16(20)18(2)17(12)10-8-13(19)9-11-17/h3-11H,1-2H3
InChIKeyLNLCVGOMGYJDBN-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.96
Rot. Bonds2

About 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 135027393) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID135027393
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCC1=C(Sc2ccccc2)C(=O)N(C)C12C=CC(=O)C=C2
InChIInChI=1S/C17H15NO2S/c1-12-15(21-14-6-4-3-5-7-14)16(20)18(2)17(12)10-8-13(19)9-11-17/h3-11H,1-2H3
InChIKeyLNLCVGOMGYJDBN-UHFFFAOYSA-N
XLogP2.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 135027393) is 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is CC1=C(Sc2ccccc2)C(=O)N(C)C12C=CC(=O)C=C2.
What is the InChIKey of 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is LNLCVGOMGYJDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-12-15(21-14-6-4-3-5-7-14)16(20)18(2)17(12)10-8-13(19)9-11-17/h3-11H,1-2H3.
What are the key properties of 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 297.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-phenylsulfanyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 135027393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).