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

C8H15NO2S — CID 58283341

IUPAC4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide
SMILESCC/C=C/N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h3-4H,2,5-8H2,1H3/b4-3+
InChIKeyZDRBFDWUYPOOND-ONEGZZNKSA-N
MW189.28 g/mol
LogP0.64
Rot. Bonds2

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

4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283341) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283341
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide
SMILESCC/C=C/N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h3-4H,2,5-8H2,1H3/b4-3+
InChIKeyZDRBFDWUYPOOND-ONEGZZNKSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide (CID 58283341) is 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide is CC/C=C/N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZDRBFDWUYPOOND-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h3-4H,2,5-8H2,1H3/b4-3+.
What are the key properties of 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide?
4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).