3-propan-2-yl-1,2-benzothiazole 1,1-dioxide

C10H11NO2S — CID 15026015

IUPAC3-propan-2-yl-1,2-benzothiazole 1,1-dioxide
SMILESCC(C)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H11NO2S/c1-7(2)10-8-5-3-4-6-9(8)14(12,13)11-10/h3-7H,1-2H3
InChIKeyCDYWBHRGEXHUPT-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.83
Rot. Bonds1

About 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide

3-propan-2-yl-1,2-benzothiazole 1,1-dioxide (PubChem CID 15026015) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-propan-2-yl-1,2-benzothiazole 1,1-dioxide
PubChem CID15026015
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3-propan-2-yl-1,2-benzothiazole 1,1-dioxide
SMILESCC(C)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H11NO2S/c1-7(2)10-8-5-3-4-6-9(8)14(12,13)11-10/h3-7H,1-2H3
InChIKeyCDYWBHRGEXHUPT-UHFFFAOYSA-N
XLogP1.83
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide (CID 15026015) is 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide is CC(C)C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide?
The InChIKey is CDYWBHRGEXHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7(2)10-8-5-3-4-6-9(8)14(12,13)11-10/h3-7H,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide?
3-propan-2-yl-1,2-benzothiazole 1,1-dioxide has a molecular weight of 209.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 15026015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).