3-ethenyl-2H-thiazine 1,1-dioxide

C6H7NO2S — CID 174578942

IUPAC3-ethenyl-2H-thiazine 1,1-dioxide
SMILESC=CC1=CC=CS(=O)(=O)N1
InChIInChI=1S/C6H7NO2S/c1-2-6-4-3-5-10(8,9)7-6/h2-5,7H,1H2
InChIKeyNPNQQHMVDBJONG-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.50
Rot. Bonds1

About 3-ethenyl-2H-thiazine 1,1-dioxide

3-ethenyl-2H-thiazine 1,1-dioxide (PubChem CID 174578942) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-ethenyl-2H-thiazine 1,1-dioxide.

Molecular Properties

Compound Name3-ethenyl-2H-thiazine 1,1-dioxide
PubChem CID174578942
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-ethenyl-2H-thiazine 1,1-dioxide
SMILESC=CC1=CC=CS(=O)(=O)N1
InChIInChI=1S/C6H7NO2S/c1-2-6-4-3-5-10(8,9)7-6/h2-5,7H,1H2
InChIKeyNPNQQHMVDBJONG-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2H-thiazine 1,1-dioxide?
The IUPAC name of 3-ethenyl-2H-thiazine 1,1-dioxide (CID 174578942) is 3-ethenyl-2H-thiazine 1,1-dioxide.
What is the SMILES notation for 3-ethenyl-2H-thiazine 1,1-dioxide?
The canonical SMILES for 3-ethenyl-2H-thiazine 1,1-dioxide is C=CC1=CC=CS(=O)(=O)N1.
What is the InChIKey of 3-ethenyl-2H-thiazine 1,1-dioxide?
The InChIKey is NPNQQHMVDBJONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-2-6-4-3-5-10(8,9)7-6/h2-5,7H,1H2.
What are the key properties of 3-ethenyl-2H-thiazine 1,1-dioxide?
3-ethenyl-2H-thiazine 1,1-dioxide has a molecular weight of 157.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2H-thiazine 1,1-dioxide is sourced from PubChem (CID 174578942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).