4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide

C8H15NO2S — CID 131247911

IUPAC4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide
SMILESC/C=C/CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h2-3H,4-8H2,1H3/b3-2+
InChIKeyFCCSOMKNIHUFNG-NSCUHMNNSA-N
MW189.28 g/mol
LogP0.29
Rot. Bonds2

About 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide

4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 131247911) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide
PubChem CID131247911
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide
SMILESC/C=C/CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h2-3H,4-8H2,1H3/b3-2+
InChIKeyFCCSOMKNIHUFNG-NSCUHMNNSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-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 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide (CID 131247911) is 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide is C/C=C/CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FCCSOMKNIHUFNG-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide?
4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 131247911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).