(1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene

C15H18O2S — CID 10956368

IUPAC(1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene
SMILESCC1=CC[C@@]2(C)CC[C@@]12S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18O2S/c1-12-8-9-14(2)10-11-15(12,14)18(16,17)13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyOFPPVRJUZBPXNH-LSDHHAIUSA-N
MW262.37 g/mol
LogP3.35
Rot. Bonds2

About (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene

(1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene (PubChem CID 10956368) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene
PubChem CID10956368
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name(1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene
SMILESCC1=CC[C@@]2(C)CC[C@@]12S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18O2S/c1-12-8-9-14(2)10-11-15(12,14)18(16,17)13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyOFPPVRJUZBPXNH-LSDHHAIUSA-N
XLogP3.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 115035637
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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene?
The IUPAC name of (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene (CID 10956368) is (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene is CC1=CC[C@@]2(C)CC[C@@]12S(=O)(=O)c1ccccc1.
What is the InChIKey of (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene?
The InChIKey is OFPPVRJUZBPXNH-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H18O2S/c1-12-8-9-14(2)10-11-15(12,14)18(16,17)13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene?
(1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene has a molecular weight of 262.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 10956368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).