cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone

C11H16O2S — CID 171939007

IUPACcyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(C1CC1)C1CC2CCC(C1)S2=O
InChIInChI=1S/C11H16O2S/c12-11(7-1-2-7)8-5-9-3-4-10(6-8)14(9)13/h7-10H,1-6H2
InChIKeySRRUTAYPTFFWDG-UHFFFAOYSA-N
MW212.31 g/mol
LogP1.66
Rot. Bonds2

About cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone

cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171939007) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171939007
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Namecyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(C1CC1)C1CC2CCC(C1)S2=O
InChIInChI=1S/C11H16O2S/c12-11(7-1-2-7)8-5-9-3-4-10(6-8)14(9)13/h7-10H,1-6H2
InChIKeySRRUTAYPTFFWDG-UHFFFAOYSA-N
XLogP1.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171939007) is cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone is O=C(C1CC1)C1CC2CCC(C1)S2=O.
What is the InChIKey of cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is SRRUTAYPTFFWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c12-11(7-1-2-7)8-5-9-3-4-10(6-8)14(9)13/h7-10H,1-6H2.
What are the key properties of cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 212.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171939007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).