3-propyl-1,3-benzothiazine-2,4-dione

C11H11NO2S — CID 3745945

IUPAC3-propyl-1,3-benzothiazine-2,4-dione
SMILESCCCn1c(=O)sc2ccccc2c1=O
InChIInChI=1S/C11H11NO2S/c1-2-7-12-10(13)8-5-3-4-6-9(8)15-11(12)14/h3-6H,2,7H2,1H3
InChIKeyLWBNJTLYZFKRGT-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.83
Rot. Bonds2

About 3-propyl-1,3-benzothiazine-2,4-dione

3-propyl-1,3-benzothiazine-2,4-dione (PubChem CID 3745945) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-propyl-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name3-propyl-1,3-benzothiazine-2,4-dione
PubChem CID3745945
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-propyl-1,3-benzothiazine-2,4-dione
SMILESCCCn1c(=O)sc2ccccc2c1=O
InChIInChI=1S/C11H11NO2S/c1-2-7-12-10(13)8-5-3-4-6-9(8)15-11(12)14/h3-6H,2,7H2,1H3
InChIKeyLWBNJTLYZFKRGT-UHFFFAOYSA-N
XLogP1.83
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,3-benzothiazine-2,4-dione?
The IUPAC name of 3-propyl-1,3-benzothiazine-2,4-dione (CID 3745945) is 3-propyl-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 3-propyl-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 3-propyl-1,3-benzothiazine-2,4-dione is CCCn1c(=O)sc2ccccc2c1=O.
What is the InChIKey of 3-propyl-1,3-benzothiazine-2,4-dione?
The InChIKey is LWBNJTLYZFKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-2-7-12-10(13)8-5-3-4-6-9(8)15-11(12)14/h3-6H,2,7H2,1H3.
What are the key properties of 3-propyl-1,3-benzothiazine-2,4-dione?
3-propyl-1,3-benzothiazine-2,4-dione has a molecular weight of 221.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 3745945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).