(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide

C5H8O2S — CID 11116105

IUPAC(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
SMILESO=S1(=O)C[C@H]2C[C@H]2C1
InChIInChI=1S/C5H8O2S/c6-8(7)2-4-1-5(4)3-8/h4-5H,1-3H2/t4-,5+
InChIKeyTXRKRQNSAQKHTO-SYDPRGILSA-N
MW132.18 g/mol
LogP0.05
Rot. Bonds

About (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide

(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide (PubChem CID 11116105) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide.

Molecular Properties

Compound Name(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
PubChem CID11116105
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
SMILESO=S1(=O)C[C@H]2C[C@H]2C1
InChIInChI=1S/C5H8O2S/c6-8(7)2-4-1-5(4)3-8/h4-5H,1-3H2/t4-,5+
InChIKeyTXRKRQNSAQKHTO-SYDPRGILSA-N
XLogP0.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide 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 (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide?
The IUPAC name of (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide (CID 11116105) is (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide.
What is the SMILES notation for (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide?
The canonical SMILES for (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide is O=S1(=O)C[C@H]2C[C@H]2C1.
What is the InChIKey of (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide?
The InChIKey is TXRKRQNSAQKHTO-SYDPRGILSA-N. The full InChI is InChI=1S/C5H8O2S/c6-8(7)2-4-1-5(4)3-8/h4-5H,1-3H2/t4-,5+.
What are the key properties of (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide?
(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide has a molecular weight of 132.18 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide is sourced from PubChem (CID 11116105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).