4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine

C10H13NO2S2 — CID 64593320

IUPAC4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESCCS(=O)(=O)N1CCSc2ccccc21
InChIInChI=1S/C10H13NO2S2/c1-2-15(12,13)11-7-8-14-10-6-4-3-5-9(10)11/h3-6H,2,7-8H2,1H3
InChIKeyBLOOYGXZCRNHBY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.95
Rot. Bonds2

About 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine

4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 64593320) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine
PubChem CID64593320
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESCCS(=O)(=O)N1CCSc2ccccc21
InChIInChI=1S/C10H13NO2S2/c1-2-15(12,13)11-7-8-14-10-6-4-3-5-9(10)11/h3-6H,2,7-8H2,1H3
InChIKeyBLOOYGXZCRNHBY-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine (CID 64593320) is 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine is CCS(=O)(=O)N1CCSc2ccccc21.
What is the InChIKey of 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is BLOOYGXZCRNHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-2-15(12,13)11-7-8-14-10-6-4-3-5-9(10)11/h3-6H,2,7-8H2,1H3.
What are the key properties of 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine?
4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 243.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 64593320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).