(5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione

C18H15NO2S — CID 137395416

IUPAC(5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESO=C1NC(=O)C2(Sc3ccccc3)C(c3ccccc3)C[C@H]12
InChIInChI=1S/C18H15NO2S/c20-16-15-11-14(12-7-3-1-4-8-12)18(15,17(21)19-16)22-13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,19,20,21)/t14?,15-,18?/m1/s1
InChIKeyAKNCVWRZHIODSH-SWKXRBFHSA-N
MW309.39 g/mol
LogP2.98
Rot. Bonds3

About (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione

(5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione (PubChem CID 137395416) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione.

Molecular Properties

Compound Name(5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione
PubChem CID137395416
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name(5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESO=C1NC(=O)C2(Sc3ccccc3)C(c3ccccc3)C[C@H]12
InChIInChI=1S/C18H15NO2S/c20-16-15-11-14(12-7-3-1-4-8-12)18(15,17(21)19-16)22-13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,19,20,21)/t14?,15-,18?/m1/s1
InChIKeyAKNCVWRZHIODSH-SWKXRBFHSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
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(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970
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(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
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5-ethoxy-3,3-bis(phenylsulfanyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The IUPAC name of (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione (CID 137395416) is (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione.
What is the SMILES notation for (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The canonical SMILES for (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione is O=C1NC(=O)C2(Sc3ccccc3)C(c3ccccc3)C[C@H]12.
What is the InChIKey of (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The InChIKey is AKNCVWRZHIODSH-SWKXRBFHSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-16-15-11-14(12-7-3-1-4-8-12)18(15,17(21)19-16)22-13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,19,20,21)/t14?,15-,18?/m1/s1.
What are the key properties of (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
(5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione has a molecular weight of 309.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-phenyl-1-phenylsulfanyl-3-azabicyclo[3.2.0]heptane-2,4-dione is sourced from PubChem (CID 137395416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).