2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide

C16H25NO2S — CID 130352020

IUPAC2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESCC(C)Cc1ccc2c(c1)S(=O)(=O)N(CC(C)(C)C)C2
InChIInChI=1S/C16H25NO2S/c1-12(2)8-13-6-7-14-10-17(11-16(3,4)5)20(18,19)15(14)9-13/h6-7,9,12H,8,10-11H2,1-5H3
InChIKeyJOHUOOWAWYPLAK-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.44
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide

2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 130352020) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID130352020
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESCC(C)Cc1ccc2c(c1)S(=O)(=O)N(CC(C)(C)C)C2
InChIInChI=1S/C16H25NO2S/c1-12(2)8-13-6-7-14-10-17(11-16(3,4)5)20(18,19)15(14)9-13/h6-7,9,12H,8,10-11H2,1-5H3
InChIKeyJOHUOOWAWYPLAK-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide (CID 130352020) is 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide is CC(C)Cc1ccc2c(c1)S(=O)(=O)N(CC(C)(C)C)C2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is JOHUOOWAWYPLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(2)8-13-6-7-14-10-17(11-16(3,4)5)20(18,19)15(14)9-13/h6-7,9,12H,8,10-11H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide?
2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 295.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6-(2-methylpropyl)-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 130352020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).