4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide

C9H15NO2S — CID 123233484

IUPAC4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide
SMILESC=CC(=C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H15NO2S/c1-3-9(2)8-10-4-6-13(11,12)7-5-10/h3H,1-2,4-8H2
InChIKeyWYQPVLMHKVFRQW-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.46
Rot. Bonds3

About 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide

4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 123233484) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide
PubChem CID123233484
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide
SMILESC=CC(=C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H15NO2S/c1-3-9(2)8-10-4-6-13(11,12)7-5-10/h3H,1-2,4-8H2
InChIKeyWYQPVLMHKVFRQW-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide (CID 123233484) is 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide is C=CC(=C)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WYQPVLMHKVFRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-3-9(2)8-10-4-6-13(11,12)7-5-10/h3H,1-2,4-8H2.
What are the key properties of 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide?
4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 201.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylidenebut-3-enyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 123233484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).