3-propan-2-yl-1,3-benzothiazine-2,4-dione

C11H11NO2S — CID 121220364

IUPAC3-propan-2-yl-1,3-benzothiazine-2,4-dione
SMILESCC(C)n1c(=O)sc2ccccc2c1=O
InChIInChI=1S/C11H11NO2S/c1-7(2)12-10(13)8-5-3-4-6-9(8)15-11(12)14/h3-7H,1-2H3
InChIKeyIOORQZUJBJWUSN-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.00
Rot. Bonds1

About 3-propan-2-yl-1,3-benzothiazine-2,4-dione

3-propan-2-yl-1,3-benzothiazine-2,4-dione (PubChem CID 121220364) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-propan-2-yl-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-1,3-benzothiazine-2,4-dione
PubChem CID121220364
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-propan-2-yl-1,3-benzothiazine-2,4-dione
SMILESCC(C)n1c(=O)sc2ccccc2c1=O
InChIInChI=1S/C11H11NO2S/c1-7(2)12-10(13)8-5-3-4-6-9(8)15-11(12)14/h3-7H,1-2H3
InChIKeyIOORQZUJBJWUSN-UHFFFAOYSA-N
XLogP2.00
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3-benzothiazine-2,4-dione?
The IUPAC name of 3-propan-2-yl-1,3-benzothiazine-2,4-dione (CID 121220364) is 3-propan-2-yl-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-1,3-benzothiazine-2,4-dione is CC(C)n1c(=O)sc2ccccc2c1=O.
What is the InChIKey of 3-propan-2-yl-1,3-benzothiazine-2,4-dione?
The InChIKey is IOORQZUJBJWUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7(2)12-10(13)8-5-3-4-6-9(8)15-11(12)14/h3-7H,1-2H3.
What are the key properties of 3-propan-2-yl-1,3-benzothiazine-2,4-dione?
3-propan-2-yl-1,3-benzothiazine-2,4-dione has a molecular weight of 221.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 121220364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).