(2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene

C16H15NOS — CID 11219415

IUPAC(2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene
SMILESC[C@]12Cc3ccsc3[C@@]1(C)N=C(c1ccccc1)O2
InChIInChI=1S/C16H15NOS/c1-15-10-12-8-9-19-13(12)16(15,2)17-14(18-15)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/t15-,16+/m0/s1
InChIKeyXQWJJPHEMNHIGC-JKSUJKDBSA-N
MW269.37 g/mol
LogP3.76
Rot. Bonds1

About (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene

(2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene (PubChem CID 11219415) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene
PubChem CID11219415
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene
SMILESC[C@]12Cc3ccsc3[C@@]1(C)N=C(c1ccccc1)O2
InChIInChI=1S/C16H15NOS/c1-15-10-12-8-9-19-13(12)16(15,2)17-14(18-15)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/t15-,16+/m0/s1
InChIKeyXQWJJPHEMNHIGC-JKSUJKDBSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene (CID 11219415) is (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene is C[C@]12Cc3ccsc3[C@@]1(C)N=C(c1ccccc1)O2.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene?
The InChIKey is XQWJJPHEMNHIGC-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H15NOS/c1-15-10-12-8-9-19-13(12)16(15,2)17-14(18-15)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene?
(2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene has a molecular weight of 269.37 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-phenyl-5-oxa-11-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),3,9-triene is sourced from PubChem (CID 11219415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).