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

C10H17NO2S — CID 154937198

IUPAC4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide
SMILESC=C/C(=C\C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17NO2S/c1-3-10(4-2)9-11-5-7-14(12,13)8-6-11/h3-4H,1,5-9H2,2H3/b10-4+
InChIKeyTUVBPLMATMJFRF-ONNFQVAWSA-N
MW215.32 g/mol
LogP0.85
Rot. Bonds3

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

4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 154937198) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide
PubChem CID154937198
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide
SMILESC=C/C(=C\C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H17NO2S/c1-3-10(4-2)9-11-5-7-14(12,13)8-6-11/h3-4H,1,5-9H2,2H3/b10-4+
InChIKeyTUVBPLMATMJFRF-ONNFQVAWSA-N
XLogP0.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.85
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-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide (CID 154937198) is 4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide is C=C/C(=C\C)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is TUVBPLMATMJFRF-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-10(4-2)9-11-5-7-14(12,13)8-6-11/h3-4H,1,5-9H2,2H3/b10-4+.
What are the key properties of 4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide?
4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 154937198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).